SCHEMBL1892201

SCHEMBL1892201

OCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.65
CSNK1E P49674 4/20 0.65
MAPK14 Q16539 4/20 0.65
MAPK13 O15264 1/20 0.65
MAPK12 P53778 1/20 0.65
MAPK11 Q15759 1/20 0.65
BRAF P15056 7/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAP4K4 O95819 3/20 0.58
BMPR1B O00238 2/20 0.58
CIT O14578 2/20 0.58
RIPK2 O43353 2/20 0.58
STK10 O94804 2/20 0.58
ABL1 P00519 2/20 0.58
RAF1 P04049 2/20 0.58
ERBB3 P21860 2/20 0.58
JAK1 P23458 2/20 0.58
ACVR1B P36896 2/20 0.58
TGFBR1 P36897 2/20 0.58

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
SCHEMBL6077523 1.00 CSNK1D (0.65) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL17088198 0.87 BRAF (0.60) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL17088200 0.86 MEN1 (0.62) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5452499 0.85 CSNK1D (0.60) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL27716525 0.85 PTGIR (0.58) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL14519366 0.85 PTGIR (0.58) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL14411548 0.85 MAPK14 (0.57) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5257891 0.84 CSNK1D (0.56) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL1646293 0.84 PTGIR (0.62) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5444414 0.84 MAP4K4 (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 33 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
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 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
US-7964534-B2 Nuclear magnetic resonance assembly of chemical entities using advanced antenna probes TRIAD LIQUIDATING COMPANY, LLC (US) 2011-06-21 US disclosed
US-7964534-B2 Nuclear magnetic resonance assembly of chemical entities using advanced antenna probes TRIAD LIQUIDATING COMPANY, LLC (US) 2011-06-21 US disclosed
US-7964534-B2 Nuclear magnetic resonance assembly of chemical entities using advanced antenna probes TRIAD LIQUIDATING COMPANY, LLC (US) 2011-06-21 US disclosed
US-20110118148-A1 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES TRIAD LIQUIDATING COMPANY, LLC 2011-05-19 US disclosed
US-20110118148-A1 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES TRIAD LIQUIDATING COMPANY, LLC 2011-05-19 US disclosed
US-20110118148-A1 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES TRIAD LIQUIDATING COMPANY, LLC 2011-05-19 US disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 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-20110118148-A1 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES AURKAIP1, MRPS27, ATRIP CSNK1D 4712/4885CSNK1E 4132/4885MAPK14 3240/4885
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

“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.