SCHEMBL4502240

SCHEMBL4502240

CCOc1cc2[nH]cc(C(=O)C(=O)N3CCCC3)c2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
GABRA1 P14867 8/20 0.42
GABRG2 P18507 8/20 0.42
GABRB3 P28472 8/20 0.42
GABRA3 P34903 8/20 0.42
GABRA2 P47869 8/20 0.42
GABRB2 P47870 8/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL4499704 0.93 MAPK14 (0.46) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL13936120 0.92 MAPK14 (0.45) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4499110 0.91 MAPK14 (0.43) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4496207 0.88 MAPK14 (0.49) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL13936141 0.88 MAPK14 (0.49) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4502343 0.84 MAPK14 (0.53) MAPK14POLB
SCHEMBL4515270 0.84 MAPK14 (0.44) MAPK14MEN1TSHRKMT2APDK1
SCHEMBL14539784 0.81 MAPK14 (0.47) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4500833 0.81 MAPK14 (0.47) MAPK14GABRA1GABRG2GABRB3GABRA3
SCHEMBL4505811 0.80 MAPK14 (0.54) MAPK14POLB

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 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.