SCHEMBL5453016

SCHEMBL5453016

CCOc1cccc(-c2[nH]nc(C)c2-c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.50
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
CREBBP Q92793 1/20 0.48
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
TTK P33981 1/20 0.42
NOTUM Q6P988 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5259748 0.86 PIK3CD (0.52) BRD4NPSR1MAPTKDM4ETDP1
SCHEMBL5454847 0.86 CDC7 (0.49) MAPTNOTUMTDP1RAB9AROCK2
SCHEMBL14519412 0.84 PIK3CD (0.46) NPSR1MAPTMAPK1EGFRCYP3A4
SCHEMBL14519428 0.81 NOTUM (0.43) FGFR1MAPTNOTUM
SCHEMBL5452723 0.80 MAPK14 (0.50) KDM4ENOTUMALDH1A1RAB9A
SCHEMBL5462134 0.78 MAPK14 (0.50) NOTUMALDH1A1
SCHEMBL14519415 0.78 RAF1 (0.49) CYP3A4
SCHEMBL27571144 0.77 PRMT6 (0.40) FGFR1FGFR2FGFR3
SCHEMBL5253523 0.76 AKT2 (0.58) NPSR1KMT2AFGFR1NOTUMALDH1A1
SCHEMBL6078226 0.76 AKT2 (0.58) NPSR1KMT2AFGFR1NOTUMALDH1A1

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 21 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
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-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 S1PR1 362/4885BRD4 1980/4885BRD2 1915/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 S1PR1 795/4885BRD4 171/4885BRD2 476/4885

“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.