SCHEMBL5635102

SCHEMBL5635102

Cc1cc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c(C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK13 O15264 8/20 0.48
MAPK12 P53778 8/20 0.48
MAPK11 Q15759 8/20 0.48
MAPK14 Q16539 8/20 0.48

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 0.86 MAPK13 (0.54) NPC1RAB9ASMN1; SMN2MAPK13MAPK12
SCHEMBL5635683 0.86 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPK13MAPK12
SCHEMBL5635679 0.84 MAPK13 (0.50) NPC1RAB9ASMN1; SMN2MAPK13MAPK12
SCHEMBL5633465 0.84 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MAPK13MAPK12
SCHEMBL5633565 0.83 MAPK13 (0.55) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5635565 0.83 MAPK13 (0.56) NPC1RAB9ASMN1; SMN2MAPK13MAPK12
SCHEMBL5634459 0.82 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5635104 0.82 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5633231 0.82 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL1119006 0.81 MAPK13 (0.70) NPC1RAB9ASMN1; SMN2MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 572/4885RAB9A 1476/4885SMN1; SMN2 2713/4885

“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.