SCHEMBL5258671

SCHEMBL5258671

Cn1cc(-c2ccncc2)c(-c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.71
CSNK1D P48730 1/20 0.71
CSNK1E P49674 1/20 0.71
MAPK12 P53778 1/20 0.71
MAPK11 Q15759 1/20 0.71
MAPK14 Q16539 1/20 0.71
BRAF P15056 14/20 0.64
MAPK3 P27361 2/20 0.59
MAPK1 P28482 2/20 0.59
PDE10A Q9Y233 4/20 0.55
LGALS3 P17931 1/20 0.54
PDE4D Q08499 1/20 0.54

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
SCHEMBL5541734 0.91 CSNK1D (0.57) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL15733493 0.87 PDE10A (0.68) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL27924978 0.85 MAPK13 (0.61) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL5258392 0.85 MAPK13 (0.74) MAPK13CSNK1DCSNK1EMAPK12MAPK11
Formamide SCHEMBL29227810 0.85 MAPK13 (0.53) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL5257540 0.83 CSNK1D (1.00) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL5698604 0.83 CSNK1D (1.00) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL5450262 0.83 MAPK13 (0.72) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL3271314 0.83 BRAF (0.74) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL27540656 0.83 MAPK13 (0.59) MAPK13CSNK1DCSNK1EMAPK12MAPK11

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 24 patents — showing the first 20. 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
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP claimed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
WO-2019161179-A1 METHODS OF TREATING DEVELOPMENTAL SYNDROMES WITH PDE10A INHIBITORS OVID THERAPEUTICS INC. (US) 2019-08-22 WO disclosed
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-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
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 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 MAPK13 22/4885CSNK1D 254/4885CSNK1E 907/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK13 4/4885CSNK1D 1168/4885CSNK1E 1661/4885

“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.