SCHEMBL4496207

SCHEMBL4496207

CC1CN(C(=O)c2cc3c(C(=O)C(=O)N4CCCC4)c[nH]c3cc2Cl)C(C)CN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.49
GABRA1 P14867 5/20 0.46
GABRG2 P18507 5/20 0.46
GABRB3 P28472 5/20 0.46
GABRA3 P34903 5/20 0.46
GABRA2 P47869 5/20 0.46
GABRB2 P47870 5/20 0.46
POLB P06746 1/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAPK11 Q15759 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
NQO2 P16083 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ACTR2 P61160 1/20 0.44
CYP3A4 P08684 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 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
SCHEMBL13936141 1.00 MAPK14 (0.49) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4505811 0.92 MAPK14 (0.54) MAPK14POLBMAPK11MAPK13MAPK12
SCHEMBL4505805 0.92 MAPK14 (0.54) MAPK14POLBMAPK11MAPK13MAPK12
SCHEMBL13954893 0.92 MAPK14 (0.54) MAPK14POLBMAPK11MAPK13MAPK12
SCHEMBL4505803 0.92 MAPK14 (0.54) MAPK14POLBMAPK11MAPK13MAPK12
SCHEMBL4513814 0.90 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4513235 0.90 MAPK14 (0.41) MAPK14GABRA1GABRG2GABRB3GABRA3
Indole SCHEMBL4512475 0.88 MAPK14 (0.49) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4502240 0.88 MAPK14 (0.53) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4500412 0.88 POLB (0.40) MAPK14GABRA1GABRG2GABRB3GABRA3

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 7 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-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
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 MAPK14 28/4885GABRA1 3798/4885GABRG2 4072/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK14 38/4885GABRA1 3452/4885GABRG2 3976/4885

“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.