SCHEMBL6370773

SCHEMBL6370773

CC(C)(C)c1ccn2nccc2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
SCN5A Q14524 1/20 0.42
TGFBR1 P36897 3/20 0.39
PCSK9 Q8NBP7 1/20 0.39
KDM4E B2RXH2 1/20 0.34
MET P08581 1/20 0.33
PIK3CD O00329 1/20 0.33
NAMPT P43490 1/20 0.31
TTK P33981 1/20 0.31
DGAT1 O75907 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL23869389 0.82 DYRK1A (0.43) DYRK1ASCN5ATGFBR1PCSK9MET
SCHEMBL2279044 0.81 TGFBR1 (0.55) DYRK1ASCN5ATGFBR1PCSK9
SCHEMBL21025441 0.76 CYP11B2 (0.33) KDM4E
SCHEMBL20043180 0.74 KDM4E (0.46) KDM4EPIK3CD
SCHEMBL21017448 0.74 PCSK9 (0.48) DYRK1ASCN5ATGFBR1PCSK9PIK3CD
SCHEMBL2750457 0.74 TGFBR1 (0.51) DYRK1ASCN5ATGFBR1PCSK9KDM4E
SCHEMBL30512173 0.74 DYRK1A (0.47) DYRK1ASCN5ATGFBR1PCSK9PIK3CD
SCHEMBL6468289 0.73 DYRK1A (0.44) DYRK1ASCN5ATGFBR1PCSK9MET
SCHEMBL12309185 0.73 RBP4 (0.33) KDM4E
SCHEMBL26354298 0.72 DYRK1A (0.33) DYRK1ASCN5ATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-8507487-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-13 US disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 US disclosed
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 US disclosed
US-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-09-27 US disclosed
US-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-09-27 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US 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 (11 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-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 DYRK1A 3409/4885SCN5A 865/4885TGFBR1 4422/4885
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 DYRK1A 4733/4885SCN5A 2790/4885TGFBR1 1681/4885
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 DYRK1A 3380/4885SCN5A 3241/4885TGFBR1 1195/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP DYRK1A 3616/4885SCN5A 1822/4885TGFBR1 3821/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 DYRK1A 899/4885SCN5A 876/4885TGFBR1 2252/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 DYRK1A 727/4885SCN5A 956/4885TGFBR1 2296/4885
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 DYRK1A 3409/4885SCN5A 865/4885TGFBR1 4422/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 DYRK1A 543/4885SCN5A 1250/4885TGFBR1 2372/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET DYRK1A 2059/4885SCN5A 3281/4885TGFBR1 825/4885
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB DYRK1A 472/4885SCN5A 3466/4885TGFBR1 3805/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B DYRK1A 2871/4885SCN5A 367/4885TGFBR1 551/4885

“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.