SCHEMBL2828474

SCHEMBL2828474

Cc1nc(C(=O)N(C)c2ccncc2)c(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.39
LCK P06239 4/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
PAX8 Q06710 1/20 0.34
PDE10A Q9Y233 1/20 0.34
POLB P06746 1/20 0.34
METAP1 P53582 1/20 0.33
NAMPT P43490 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL2828895 0.79 BRD4 (0.49) NAMPT
SCHEMBL4908445 0.79 CYP17A1 (0.41) CYP17A1KDM4EKMT2APDE10AMETAP1
SCHEMBL2846388 0.79 PAX8 (0.39) KDM4EKMT2ALMNAPAX8PDE10A
SCHEMBL2521302 0.75 CA1 (0.40) LCKKMT2A
SCHEMBL21781666 0.74 RAF1 (0.44) LCK
SCHEMBL2826113 0.71 TSHR (0.41) LCKKDM4ELMNA
SCHEMBL2829394 0.71 ABCG2 (0.45) KDM4EKMT2ALMNAPOLB
SCHEMBL17379445 0.71 LCK (0.44) LCKKMT2ALMNA
SCHEMBL2828472 0.70 GRM5 (0.62) LCKKMT2AMETAP1
SCHEMBL9594588 0.69 LCK (0.43) LCK

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 CYP17A1 3752/4885LCK 2212/4885KDM4E 1059/4885

“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.