SCHEMBL5450053

SCHEMBL5450053

OCCn1cc(-c2ccnc(NCc3ccc(F)cc3)c2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.52
CSNK1E P49674 4/20 0.52
MAPK14 Q16539 13/20 0.50
MAPK13 O15264 9/20 0.50
MAPK12 P53778 9/20 0.50
MAPK11 Q15759 9/20 0.50
KCNH2 Q12809 1/20 0.47
BRAF P15056 4/20 0.46
BMPR1B O00238 2/20 0.46
CIT O14578 2/20 0.46
RIPK2 O43353 2/20 0.46
STK10 O94804 2/20 0.46
MAP4K4 O95819 2/20 0.46
ABL1 P00519 2/20 0.46
RAF1 P04049 2/20 0.46
ERBB3 P21860 2/20 0.46
JAK1 P23458 2/20 0.46
ACVR1B P36896 2/20 0.46
TGFBR1 P36897 2/20 0.46
MAPK10 P53779 2/20 0.46

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
SCHEMBL5450222 0.87 MAPK14 (0.50) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5462121 0.85 MAPK14 (0.47) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5456458 0.85 MAPK14 (0.49) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5452499 0.82 CSNK1D (0.60) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5448088 0.81 CSNK1D (0.62) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL8113171 0.79 KMT2A (0.42) CSNK1DCSNK1EMEN1KMT2AFYN
SCHEMBL5458008 0.79 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL1892201 0.78 CSNK1D (0.65) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL6077523 0.78 CSNK1D (0.65) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5453153 0.78 CSNK1D (0.67) CSNK1DCSNK1EMAPK14MAPK13MAPK12

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 20 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
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN claimed
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
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
CN-1273603-A Attenuated respiratory syncytial virus AMERICAN CYANAMID CO (US) 2000-11-15 CN disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 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 (2 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF CSNK1D 254/4885CSNK1E 907/4885MAPK14 12/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CSNK1D 1168/4885CSNK1E 1661/4885MAPK14 7/4885

“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.