SCHEMBL2846388

SCHEMBL2846388

Cc1nc(C(=O)N(C)c2ccncc2)c(N(C(=O)OC(C)(C)C)c2sc(C)nc2C(=O)N(C)c2ccncc2)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.39
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MLYCD O95822 1/20 0.34
PDE10A Q9Y233 2/20 0.32
POLB P06746 2/20 0.32
F2 P00734 3/20 0.32
MEN1 O00255 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
GRM1 Q13255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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) PAX8KMT2AKDM4ELMNAMLYCD
SCHEMBL481946 0.74 PAX8 (0.49) PAX8KMT2AKDM4ELMNAMLYCD
Potassium SCHEMBL30601778 0.73 PAX8 (0.48) PAX8KMT2AKDM4ELMNAMLYCD
SCHEMBL2846386 0.70 GRM5 (0.53) KMT2AMEN1NPC1RAB9A
SCHEMBL4908445 0.68 CYP17A1 (0.41) KMT2AKDM4EMLYCDPDE10A
SCHEMBL2828895 0.68 BRD4 (0.49)
SCHEMBL30073325 0.68 F2 (0.47) PAX8KMT2AKDM4EF2MEN1
SCHEMBL15948302 0.67 F2 (0.38) PAX8KMT2AKDM4ELMNAF2
SCHEMBL7328872 0.67 MT-CO2 (0.41) PAX8LMNAF2CDC7HSD17B10
SCHEMBL18366025 0.66 PAX8 (0.39) PAX8ALDH1A1

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 PAX8 1465/4885KMT2A 1012/4885KDM4E 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.