SCHEMBL5635397

SCHEMBL5635397

COc1cccc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.77
MAPK12 P53778 4/20 0.77
MAPK11 Q15759 4/20 0.77
MAPK14 Q16539 4/20 0.77
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ZAP70 P43403 1/20 0.48
VNN1 O95497 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.47

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
SCHEMBL1119006 0.87 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5634926 0.85 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5635113 0.85 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5633881 0.85 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5633679 0.85 MAPK13 (0.87) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5634125 0.84 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5635565 0.84 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5634407 0.83 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5634617 0.83 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5633231 0.83 MAPK13 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US 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.