SCHEMBL4497804

SCHEMBL4497804

CNC(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3C[C@H](C)N(Cc4cccc(Cl)c4)C[C@H]3C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.44
GABRD O14764 4/20 0.44
GABRA1 P14867 4/20 0.44
GABRB1 P18505 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRA4 P48169 4/20 0.44
GABRE P78334 4/20 0.44
GABRA6 Q16445 4/20 0.44
GABRG1 Q8N1C3 4/20 0.44
GABRG3 Q99928 4/20 0.44
GABRQ Q9UN88 4/20 0.44
MAPK14 Q16539 6/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43

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
SCHEMBL4495666 0.90 MAPK14 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14539784 0.89 MAPK14 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4504045 0.88 MAPK14 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4497848 0.83 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4509707 0.80 MAPK14 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13936141 0.80 MAPK14 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4496207 0.80 MAPK14 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14185141 0.79 MAPK14 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4499967 0.79 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL22764065 0.79 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 GABRP 3171/4885GABRD 3854/4885GABRA1 3798/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 GABRP 2815/4885GABRD 3572/4885GABRA1 3452/4885

“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.