SCHEMBL5634258

SCHEMBL5634258

Cc1cccnc1C(=O)c1cnc(Nc2ccnc(C#N)c2)s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
LCK P06239 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.39

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
SCHEMBL5633567 0.87 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5635057 0.86 NPC1 (0.49) RAB9ASMN1; SMN2NPC1MAPK13MAPK12
SCHEMBL5634050 0.79 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5634714 0.79 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5634079 0.78 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5633644 0.78 NPC1 (0.49) RAB9ASMN1; SMN2NPC1MAPK13MAPK12
SCHEMBL5634191 0.77 CDK2 (0.49) RAB9ASMN1; SMN2NPC1MAPK13MAPK12
SCHEMBL5634666 0.74 NPC1 (0.50) RAB9ASMN1; SMN2NPC1MAPK13MAPK12
SCHEMBL5635679 0.71 MAPK13 (0.50) RAB9ASMN1; SMN2NPC1MAPK13MAPK12
SCHEMBL5569873 0.71 TMPRSS15 (0.44) RAB9ANPC1MAPK13MAPK12MAPK11

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

“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.