SCHEMBL2825969

SCHEMBL2825969

CC(C)(C)OC(=O)Nc1cncc(C(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
CYP17A1 P05093 4/20 0.41
IDO1 P14902 1/20 0.39
SYK P43405 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB8 P28062 1/20 0.37
RORC P51449 3/20 0.37
MAP4K4 O95819 1/20 0.37
LCK P06239 1/20 0.36
APLNR P35414 1/20 0.36
ADORA2B P29275 1/20 0.36
ATR Q13535 1/20 0.36

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
SCHEMBL29873590 0.85 NAMPT (0.43) NAMPTCYP17A1IDO1SYKCA12
SCHEMBL14428036 0.85 NAMPT (0.54) NAMPTCYP17A1SYKCA12CA1
SCHEMBL31654381 0.83 FPR2 (0.41) NAMPTCYP17A1APLNR
SCHEMBL25890393 0.83 FPR2 (0.41) NAMPTCYP17A1APLNR
SCHEMBL29526828 0.81 NAMPT (0.48) NAMPTCYP17A1SYKCA12CA1
SCHEMBL14395618 0.81 NAMPT (0.48) NAMPTCYP17A1SYKCA12CA1
SCHEMBL1502539 0.81 NAMPT (0.48) NAMPTCYP17A1CA12CA1CA9
SCHEMBL12735928 0.79 NAMPT (0.49) NAMPTCYP17A1SYKCA12CA1
SCHEMBL29674394 0.79 NAMPT (0.49) NAMPTCYP17A1SYKCA12CA1
SCHEMBL1710464 0.79 NAMPT (0.49) NAMPTCYP17A1CA12CA1CA9

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 5 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 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 NAMPT 3415/4885CYP17A1 3752/4885IDO1 4007/4885

“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.