SCHEMBL4496176

SCHEMBL4496176

CC1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N3CCC(O)C3)cn(N)c2cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.47
SLC6A9 P48067 12/20 0.36
MAPK11 Q15759 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
NQO2 P16083 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
ACTR2 P61160 1/20 0.34

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
SCHEMBL4496178 1.00 MAPK14 (0.47) MAPK14SLC6A9MAPK11MAPK13MAPK12
SCHEMBL4512122 0.91 MAPK14 (0.49) MAPK14SLC6A9MAPK11MAPK13MAPK12
SCHEMBL4512123 0.91 MAPK14 (0.49) MAPK14SLC6A9MAPK11MAPK13MAPK12
SCHEMBL4496507 0.89 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4502035 0.85 MAPK14 (0.64) MAPK14SLC6A9MAPK11MAPK13MAPK12
SCHEMBL4502033 0.85 MAPK14 (0.64) MAPK14SLC6A9MAPK11MAPK13MAPK12
SCHEMBL4495662 0.84 CYP2C19 (0.44) MAPK14SLC6A9
SCHEMBL4495663 0.84 CYP2C19 (0.44) MAPK14SLC6A9
SCHEMBL4493197 0.80 MAPK14 (0.52) MAPK14SLC6A9MAPK11MAPK13MAPK12
SCHEMBL4493201 0.80 MAPK14 (0.52) MAPK14SLC6A9MAPK11MAPK13MAPK12

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 4 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
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 US 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 28/4885SLC6A9 3137/4885MAPK11 48/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK14 38/4885SLC6A9 3515/4885MAPK11 52/4885

“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.