SCHEMBL5634459

SCHEMBL5634459

CCc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.53
MAPK12 P53778 8/20 0.53
MAPK11 Q15759 8/20 0.53
MAPK14 Q16539 8/20 0.53

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
SCHEMBL5634406 0.88 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5633565 0.86 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5635104 0.85 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5634498 0.85 NPC1 (0.65) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5633231 0.85 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5634714 0.85 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5635679 0.84 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5634351 0.84 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL1119006 0.83 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5635102 0.82 NPC1 (0.50) MAPK13MAPK12MAPK11MAPK14

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100381429-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2008-04-16 CN claimed
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US claimed
CN-1675188-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2005-09-28 CN claimed
EP-1539722-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP claimed
US-20040038990-A1 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-02-26 US claimed
WO-2004014884-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO claimed
CN-100381429-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2008-04-16 CN disclosed
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
CN-1675188-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2005-09-28 CN disclosed
EP-1539722-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-20040038990-A1 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-02-26 US disclosed
WO-2004014884-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 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 (1 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-20040038990-A1 Aminothiazole derivatives FABP4, GPR119, ABAT MAPK13 3018/4885MAPK12 2608/4885MAPK11 2347/4885

“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.