SCHEMBL5451902

SCHEMBL5451902

c1cc(-c2c[nH]nc2-c2ccncc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NOTUM Q6P988 1/20 0.41
MAPK9 P45984 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
DYRK1A Q13627 3/20 0.40
GSK3B P49841 2/20 0.40
CDK1 P06493 2/20 0.40
CDK2 P24941 2/20 0.40
NFATC1 O95644 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
AURKA O14965 1/20 0.39
LYN P07948 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL5256518 0.94 NOTUM (0.52) IMPDH2MAPK1HSD17B10NOTUMMAPK9
SCHEMBL5256520 0.89 GCGR (0.49) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL1554633 0.89 MAPK14 (0.53) MAPK9MAPK10GSK3BMAPK11MAPK14
SCHEMBL27833459 0.89 NTRK1 (0.44) IMPDH2MAPK1HSD17B10LMNAMAPT
SCHEMBL15022262 0.89 MAPK14 (0.47) IMPDH2MAPK1HSD17B10LMNAMAPT
SCHEMBL6077530 0.89 MAPK14 (0.53) MAPK9MAPK10GSK3BMAPK11MAPK14
SCHEMBL5457022 0.89 MAPK14 (0.43) IMPDH2MAPK1HSD17B10MAPK9MAPK8
SCHEMBL6078860 0.89 GCGR (0.49) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL5443428 0.89 MAPK14 (0.47) IMPDH2MAPK1HSD17B10LMNAMAPT
Hydrochloric Acid SCHEMBL1554763 0.88 MAPK14 (0.51) MAPK9MAPK10GSK3BMAPK11MAPK14

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP disclosed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US disclosed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 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 (3 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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D IMPDH2 4607/4885MAPK1 231/4885HSD17B10 2594/4885
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF IMPDH2 1141/4885MAPK1 1/4885HSD17B10 3036/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 IMPDH2 1885/4885MAPK1 1/4885HSD17B10 4567/4885

“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.