SCHEMBL4512683

SCHEMBL4512683

C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N3CCCC3)c[nH]c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPK14 Q16539 2/20 0.41
SLC6A9 P48067 3/20 0.39
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRB2 P47870 4/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL4512681 1.00 CYP2C19 (0.46) CYP2C19CYP2D6CYP2C9POLBCYP3A4
SCHEMBL4495662 0.91 CYP2C19 (0.44) CYP2C19CYP2D6CYP2C9CYP3A4MAPK14
SCHEMBL4495663 0.91 CYP2C19 (0.44) CYP2C19CYP2D6CYP2C9CYP3A4MAPK14
SCHEMBL4494523 0.89 MAPK14 (0.54) CYP2C19CYP2D6CYP2C9POLBCYP3A4
SCHEMBL4493826 0.88 MAPK14 (0.55) CYP2C19CYP2D6CYP2C9CYP3A4MAPK14
SCHEMBL4493823 0.88 MAPK14 (0.55) CYP2C19CYP2D6CYP2C9CYP3A4MAPK14
SCHEMBL13936148 0.85 MAPK14 (0.45) CYP2C19CYP2D6CYP2C9POLBCYP3A4
SCHEMBL4506730 0.85 MAPK14 (0.45) CYP2C19CYP2D6CYP2C9POLBCYP3A4
SCHEMBL4512122 0.83 MAPK14 (0.49) MAPK14SLC6A9MAPT
SCHEMBL4512123 0.83 MAPK14 (0.49) MAPK14SLC6A9MAPT

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 CYP2C19 2876/4885CYP2D6 2678/4885CYP2C9 3358/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 CYP2C19 3394/4885CYP2D6 3434/4885CYP2C9 3723/4885

“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.