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Sugi Predict / Compounds / SCHEMBL4501598

SCHEMBL4501598

SCHEMBL4501598

C[C@@H]1CN(Cc2cccs2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CC[C@@H](O)C3)c[nH]c2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.40
▸ CYP2C19 P33261 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ ACTR2 P61160 1/20 0.37
▸ PRKAB2 O43741 5/20 0.34
▸ PRKAG1 P54619 5/20 0.34
▸ PRKAA2 P54646 5/20 0.34
▸ PRKAA1 Q13131 5/20 0.34
▸ PRKAG3 Q9UGI9 5/20 0.34
▸ PRKAG2 Q9UGJ0 5/20 0.34
▸ PRKAB1 Q9Y478 5/20 0.34
▸ GABRA1 P14867 4/20 0.34
▸ GABRG2 P18507 4/20 0.34
▸ GABRB3 P28472 4/20 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
SCHEMBL4500412 0.91 POLB (0.40) MAPK14CYP2C19CYP2D6CYP2C9MAPK11
SCHEMBL4489133 0.87 MAPK14 (0.42) MAPK14CYP2C19CYP2D6CYP2C9MAPK11
SCHEMBL13936173 0.87 MAPK14 (0.42) MAPK14CYP2C19CYP2D6CYP2C9MAPK11
SCHEMBL4493088 0.86 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4501461 0.86 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4508983 0.85 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4502344 0.85 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4501596 0.82 MAPK14 (0.39) MAPK14PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4493179 0.80 MAPK14 (0.51) MAPK14CYP2C19CYP2D6CYP2C9PRKAB2
SCHEMBL4496207 0.79 MAPK14 (0.49) MAPK14CYP2C19CYP2D6CYP2C9MAPK11

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 28/4885CYP2C19 2876/4885CYP2D6 2678/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK14 38/4885CYP2C19 3394/4885CYP2D6 3434/4885

“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.