SCHEMBL2828895

SCHEMBL2828895

Cc1nc(C(=O)N(C)c2ccncc2)c(Nc2cccc(CNC(=O)OC(C)(C)C)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.49
NAMPT P43490 4/20 0.39
GLS O94925 3/20 0.39
GRM5 P41594 3/20 0.36
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CCKBR P32239 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2828474 0.79 CYP17A1 (0.39) NAMPT
SCHEMBL2828893 0.78 GRM5 (0.60) BRD4NAMPTGLSGRM5
SCHEMBL2827691 0.78 BRD4 (0.48) BRD4NAMPTGLSGRM5CYP3A4
SCHEMBL2829394 0.78 ABCG2 (0.45) GRM5ROCK1
SCHEMBL1438728 0.72 NAMPT (0.55) NAMPT
SCHEMBL2828834 0.70 BRD4 (0.48) BRD4GRM5ROCK2ROCK1
SCHEMBL7876727 0.70 BRD4 (0.56) BRD4NAMPTGLSJAK2JAK1
SCHEMBL7880096 0.70 BRD4 (0.56) BRD4NAMPTGLSROCK2ROCK1
SCHEMBL7872372 0.69 BRD4 (0.60) BRD4NAMPTGLSROCK1JAK2
SCHEMBL301717 0.68 PRMT6 (0.56) BRD4NAMPTGLSROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 BRD4 905/4885NAMPT 3415/4885GLS 205/4885

“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.