SCHEMBL5259228

SCHEMBL5259228

Cc1n[nH]c(-c2ccccc2)c1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
AKT2 P31751 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNE Q04844 1/20 0.41
ILK Q13418 2/20 0.41
KDR P35968 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
SCHEMBL5865715 0.79 AKT2 (0.68) CHEK1AKT2KDM4EALDH1A1MEN1
SCHEMBL5254468 0.79 AKT2 (0.46) CHEK1AKT2KDM4EALDH1A1MEN1
SCHEMBL5256284 0.77 AKT2 (0.47) CHEK1AKT2KDM4EALDH1A1MEN1
SCHEMBL5259157 0.76 AKT2 (0.50) CHEK1AKT2KDM4EALDH1A1MEN1
SCHEMBL5253523 0.76 AKT2 (0.58) CHEK1AKT2ALDH1A1KMT2AMAPK1
SCHEMBL6078226 0.76 AKT2 (0.58) CHEK1AKT2ALDH1A1KMT2AMAPK1
SCHEMBL5261702 0.74 AKT2 (0.47) CHEK1AKT2KDM4EALDH1A1MEN1
SCHEMBL5256336 0.73 CHEK1 (0.54) CHEK1AKT2MAPK1NPSR1ILK
SCHEMBL2866868 0.72 KDR (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5256808 0.72 AKT2 (0.53) CHEK1AKT2KDM4EALDH1A1MEN1

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-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-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
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 CHEK1 3451/4885AKT2 241/4885KDM4E 4399/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CHEK1 3332/4885AKT2 1523/4885KDM4E 2562/4885

“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.