{"id":"W4409414898","doi":"10.1021/acschembio.5c00097","title":"Repurposing of the RIPK1-Selective Benzo[1,4]oxazepin-4-one Scaffold for the Development of a Type III LIMK1/2 Inhibitor","year":2025,"lang":"en","type":"article","venue":"ACS Chemical Biology","topic":"Cytokine Signaling Pathways and Interactions","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Deutschen Konsortium für Translationale Krebsforschung; Janssen Biotech; Innovative Medicines Initiative; Genome Canada; Bayer; Deutsche Forschungsgemeinschaft; Deutsches Krebsforschungszentrum; Bristol-Myers Squibb; Takeda Pharmaceutical Company; Genentech; Deutsche Krebshilfe; Pfizer; Boehringer Ingelheim","keywords":"Repurposing; Drug repositioning; Scaffold; Chemistry; Biology; Pharmacology; Computer science; Ecology; Drug","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001711835,0.00008963158,0.0002649203,0.00004429785,0.00007720821,0.000002680608,0.0001475067,0.0001174917,0.00002125106],"category_scores_gemma":[0.0005851458,0.00005075474,0.0001050149,0.0002802889,0.0001515441,0.0000113172,0.0001100458,0.0001521939,0.000001136388],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000592604,"about_ca_system_score_gemma":0.0002356328,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002156465,"about_ca_topic_score_gemma":0.000007968205,"domain_scores_codex":[0.9992167,0.00001975401,0.000380447,0.000171164,0.00006459124,0.0001473415],"domain_scores_gemma":[0.998872,0.0004658884,0.0001387986,0.0002268464,0.000274534,0.0000219659],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003567132,0.0001268186,0.0006070327,0.00003889502,0.0001991076,4.942147e-8,0.0002904314,6.491726e-7,0.988802,0.001298344,0.001136349,0.00714359],"study_design_scores_gemma":[0.0006447335,0.0001327131,0.0005119927,0.0001916042,0.0001122301,0.000003136031,0.00008569674,0.00004081826,0.9744349,0.0004014352,0.02339386,0.0000469549],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952992,0.0006682801,0.0005472994,0.001400743,0.0003391058,0.0005085164,0.00001148985,0.0000149245,0.0012104],"genre_scores_gemma":[0.9979251,0.00001590354,0.001362368,0.0003538143,0.000100395,0.00004142424,0.00001790588,0.000006820066,0.0001762478],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02225751,"threshold_uncertainty_score":0.2069718,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03025055239345765,"score_gpt":0.3115635095631918,"score_spread":0.2813129571697342,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}