SCHEMBL4584994

SCHEMBL4584994

CSc1cccc(-c2nc(C)[nH]c2-c2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.63
MAPK14 Q16539 14/20 0.57
MAPK13 O15264 6/20 0.57
MAPK12 P53778 6/20 0.57
MAPK11 Q15759 6/20 0.57
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CSNK1D P48730 4/20 0.48
CSNK1E P49674 3/20 0.48
TEK Q02763 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
LCK P06239 1/20 0.47
RET P07949 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MATK P42679 1/20 0.47
FRK P42685 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL8103860 0.81 MAPK14 (0.69) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL1387860 0.79 KDM4E (0.83) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL1387814 0.78 ALOX5 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL1388055 0.76 KDM4E (0.50) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL26666887 0.76 IDO1 (0.53) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL31280979 0.76 IDO1 (0.53) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6449407 0.74 MAPK14 (0.77) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4553529 0.73 ALOX5 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4552010 0.73 MAPK14 (0.76) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4584568 0.72 MAPK14 (0.61) ALOX5MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
EP-1539121-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2005-06-15 EP disclosed
WO-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 WO disclosed
WO-2004019873-A9 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2004-06-24 WO disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
WO-2004024083-A2 METHODS OF BONE HEALING UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-03-25 WO disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
EP-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP disclosed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed