SCHEMBL279792

SCHEMBL279792

CC(C)(C)OC(=O)Nn1cc(Br)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.38
CTSK P43235 6/20 0.37
CTSS P25774 5/20 0.37
CTSB P07858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
GAA P10253 1/20 0.32
LCK P06239 1/20 0.32

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
SCHEMBL15043244 0.81 CTSS (0.37) AAK1CTSKCTSSCTSBTRPA1
SCHEMBL22828753 0.77 NPC1 (0.39) AAK1NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL277315 0.77 MEN1 (0.31) MEN1KMT2AGAA
SCHEMBL66516 0.75 CTSS (0.39) CTSKCTSSCTSBNPC1RAB9A
SCHEMBL18938924 0.67 NPC1 (0.43) AAK1NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL6025129 0.66 NPC1 (0.35) AAK1NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL24662517 0.66 EGLN2 (0.47) AAK1CTSKCTSSCTSBNPC1
SCHEMBL31612558 0.66 TTK (0.35) AAK1CTSKCTSSCTSBSMN1; SMN2
SCHEMBL32679879 0.65 NPC1 (0.33) CTSKCTSSNPC1RAB9ASMN1; SMN2
SCHEMBL24031584 0.65 GAA (0.34) SMN1; SMN2GAA

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 33 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
US-20220153745-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-05-19 US disclosed
US-20220153745-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-05-19 US 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
WO-2020253458-A1 CDK KINASE INHIBITOR 北京睿熙生物科技有限公司 2020-12-24 WO disclosed
WO-2020156982-A1 THE MONOHYDRATE OF ROGARATINIB HYDROCHLORIDE AND SOLID STATES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20110294776-A1 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) 2011-12-01 US disclosed
US-20110294776-A1 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) 2011-12-01 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
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-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-20220153745-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS NR5A2, FGFR1, FGFR3 AAK1 2110/4885CTSK 4600/4885CTSS 4501/4885
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 AAK1 742/4885CTSK 3392/4885CTSS 4540/4885
US-20220098201-A1 THE MONOHYDRATE OF ROGARATINIB HYDROCHLORIDE AND SOLID STATES THEREOF JAK2, JAK3, JAK1 AAK1 283/4885CTSK 3398/4885CTSS 4762/4885
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 AAK1 627/4885CTSK 2113/4885CTSS 2367/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 AAK1 627/4885CTSK 2113/4885CTSS 2367/4885

“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.