Director, AIRx Medicinal Chemistry

Director, AIRx Medicinal Chemistry

Takeda Research is constructing the Discovery Automation & Robotics (DAR) group built on AI, automation, new ways of working, and talent with the singular vision of delivering differentiated medicines to the clinic at speed and cost. To catalyze these efforts, Takeda is creating two complementary units: AI Research Accelerator (AIRx) and The Discovery Automation & Robotics (DAR) group.

AIRx will consist of a dedicated group of experienced drug hunters with the autonomy of a biotech and the resources of a leading pharmaceutical company. It is designed to incubate the future AI-powered operating models and deliver candidates to the clinic at industry leading speed and success rates.

Purpose

This is medicinal chemistry as it should be — pure design, at speed, with the best tools available. You will work at the frontier of AI-enabled molecular design: evaluating generative proposals, applying deep SAR judgment, and directing CRO synthesis to close DMTA cycles faster than any traditional discovery team. No synthetic bench. No compound store. Just expert chemistry thinking applied at maximum velocity.

The AIRx Medicinal Chemist is a seasoned drug hunter who thrives in lean, autonomous environments and is excited to work at the frontier of AI-driven drug design. Strong SAR intuition, decisiveness, and the confidence to challenge computational outputs are as important as deep chemistry expertise. We are not looking for someone who will defer to the AI. We are looking for someone who will argue with it, stress-test its proposals against hard-won SAR experience, and make better molecules because of that tension.

If you have deep chemistry instinct and genuine curiosity about what generative AI can and cannot do — this is where that combination produces real impact.

Accountabilities

• Design and optimize drug candidates using deep SAR intuition, multi-parameter optimization, and ADME-embedded design principles
• Integrate AI/ML-generated design proposals with medicinal chemistry judgment — critically evaluating computational outputs, not simply accepting them
• Partner closely with Computational Chemistry colleagues to close DMTA cycles rapidly; contribute to defining next design iterations
• Provide strategic oversight of CRO synthesis programs: define compound lists, review synthetic routes, and ensure quality and delivery timelines
• Embed selectivity, develop ability, and IP considerations into design decisions from the outset
• Interpret structural biology data (X-ray, cryo-EM) in partnership with Structural Biology contacts to guide optimization
• Stay current with competitive chemical matter and emerging chemistry approaches; proactively apply new methods
• Contribute to AI/ML training datasets by ensuring experimental data is captured in standardized, decision-ready format

Qualifications & Competencies

• PhD in medicinal chemistry or organic chemistry
• 10+ years of drug discovery experience with a strong track record in lead optimization and candidate nomination OR
• MS with 16+ years experience, OR BS with 18+ years experience
• Demonstrated expertise in SAR-driven design, ADME optimization, and multi-parameter optimization across multiple programs
• Experience directing CRO-based chemistry programs including synthetic route planning; proven vendor oversight and delivery management
• Working knowledge of AI/ML design tools; ability to critically interpret and challenge computational outputs
• Familiarity with structure-based drug design; ability to read and apply protein-ligand structural data
• Experience in one or more therapeutic areas across the Takeda Research portfolio preferred
• Has operated in SWAT team, rapid-response, or focused asset team environments and knows the difference between productive urgency and firefighting — and thrives in the former

Additional Information

• The position will be based in Cambridge, MA. This position is currently classified as "hybrid" by Takeda's Hybrid and Remote Work policy

Takeda Compensation and Benefits Summary

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