SCHEMBL5308448

SCHEMBL5308448

C#CCNc1nccc(-c2c[nH]nc2-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MAPK14 Q16539 7/20 0.40
MAPK9 P45984 5/20 0.40
CSNK1D P48730 5/20 0.40
PRKD2 Q9BZL6 5/20 0.40
PRKD3 O94806 4/20 0.40
MAP4K4 O95819 4/20 0.40
CSNK1A1 P48729 4/20 0.40
TAOK1 Q7L7X3 4/20 0.40
CSNK1G2 P78368 3/20 0.40
MINK1 Q8N4C8 3/20 0.40
MAP3K20 Q9NYL2 3/20 0.40
CSNK1G3 Q9Y6M4 3/20 0.40
FRK P42685 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
MATK P42679 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK3 O43781 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL5256677 0.84 MAPK14 (0.52) MKNK1MAPK14MAPK9KCNH2MAPK13
SCHEMBL5260080 0.83 MAPK14 (0.49) MAPK14MAPK9GSK3BMAPK13MAPK12
SCHEMBL5308445 0.83 AURKA (0.39) MKNK1MAPK14MAPK9CSNK1DPRKD2
SCHEMBL5257451 0.82 CLK4 (0.58) MKNK1MAPK14MAPK9CLK4CLK2
SCHEMBL1554515 0.81 MAPK8 (0.52) MAPK14MAPK9CSNK1DPRKD2PRKD3
SCHEMBL5464101 0.79 MAPK14 (0.47) MAPK14GSK3BKCNH2MAPK13MAPK12
SCHEMBL5447710 0.78 ADORA3 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14519530 0.78 MAPK8 (0.53) MKNK1MAPK14MAPK9KCNH2MAPK8
SCHEMBL5255249 0.77 CDK4 (0.54) MAPK14MAPK9CSNK1DPRKD2PRKD3
SCHEMBL5256181 0.77 MAPK14 (0.41) MAPK14GSK3AGSK3BMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP 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
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 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 MKNK1 563/4885MAPK14 12/4885MAPK9 76/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MKNK1 523/4885MAPK14 7/4885MAPK9 38/4885

“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.