SCHEMBL66516

SCHEMBL66516

CC(C)(C)OC(=O)Nn1cccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.39
CTSK P43235 10/20 0.39
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
KCNA3 P22001 1/20 0.35
TRPA1 O75762 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9923086 0.78 RAB9A (0.36) MEN1NPC1GAARAB9AKMT2A
SCHEMBL279792 0.75 AAK1 (0.38) CTSSCTSKCTSBTRPA1EGLN2
SCHEMBL1966568 0.75 NR1H2 (0.39) CTSLMEN1NPC1GAARAB9A
SCHEMBL1854385 0.75 KDM4E (0.37) CTSLMEN1NPC1GAARAB9A
SCHEMBL16678680 0.74 HSP90AA1 (0.43) CTSKMEN1KMT2A
SCHEMBL15043244 0.73 CTSS (0.37) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL9920358 0.70 TSHR (0.38) MEN1NPC1RAB9AKMT2ACA12
SCHEMBL1036742 0.69 CTSS (0.47) CTSSCTSKCTSLCTSB
SCHEMBL8836159 0.69 NOTUM (0.42) MEN1NPC1GAARAB9AKMT2A
SCHEMBL9980547 0.67 APLNR (0.36) MEN1NPC1GAARAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469062-A1 INHIBITORS OF CDK4/6 KINASE Kinnate Biopharma Inc. (US) 2024-12-04 EP disclosed
CN-119013030-A Inhibitors of CDK4/6 kinase 金耐特生物制药公司 2024-11-22 CN disclosed
EP-3670513-B1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2023-09-20 EP disclosed
WO-2023147372-A1 INHIBITORS OF CDK4/6 KINASE KINNATE BIOPHARMA INC. (US) 2023-08-03 WO disclosed
EP-3988551-A1 CDK KINASE INHIBITOR Beijing Benicall Biotech Co., Ltd. (CN) 2022-04-27 EP disclosed
US-20220098201-A1 THE MONOHYDRATE OF ROGARATINIB HYDROCHLORIDE AND SOLID STATES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2022-03-31 US disclosed
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors CSPC ZHONGQI PHARMACEUTICALL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-02-01 US disclosed
CN-110092787-B Preparation and application of compound or medicinal salt or composition thereof 深圳铂立健医药有限公司 2021-10-15 CN disclosed
CN-113382997-A Monohydrate of hydrochloric acid Rogatinib and solid state thereof 拜耳股份有限公司 2021-09-10 CN disclosed
WO-2020253458-A1 CDK KINASE INHIBITOR 北京睿熙生物科技有限公司 2020-12-24 WO disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors FGFR1, FGFR2, FGFR4 CTSS 3871/4885CTSK 3925/4885CTSL 3723/4885
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 CTSS 2413/4885CTSK 2096/4885CTSL 1875/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 CTSS 2356/4885CTSK 2054/4885CTSL 1875/4885
US-20220098201-A1 THE MONOHYDRATE OF ROGARATINIB HYDROCHLORIDE AND SOLID STATES THEREOF JAK2, JAK3, JAK1 CTSS 4762/4885CTSK 3398/4885CTSL 4244/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 CTSS 2367/4885CTSK 2113/4885CTSL 1789/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.