SCHEMBL2829641

SCHEMBL2829641

Cc1nc(C(=O)O)c(Nc2cccc(-c3ccn(C)n3)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.44
GPR142 Q7Z601 1/20 0.42
SYK P43405 1/20 0.41
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
GRM5 P41594 5/20 0.39
POLQ O75417 1/20 0.37
KDM4E B2RXH2 1/20 0.37
FYN P06241 2/20 0.37
LMNA P02545 1/20 0.37
DYRK1A Q13627 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
SCHEMBL2826517 0.78 NPC1 (0.42) NTRK1SYKGRM5KDM4ELMNA
SCHEMBL2827195 0.77 GRM5 (0.47) KMT2AGRM5KDM4ELMNADYRK1A
SCHEMBL29796107 0.76 KMT2A (0.53) GPR142KMT2ACREBBPKDM4EFYN
SCHEMBL2828221 0.76 LDHA (0.51) KMT2AGRM5KDM4ELMNA
SCHEMBL2832991 0.76 GRM5 (0.46) NTRK1GPR142SYKKMT2AGRM5
SCHEMBL2826326 0.75 BRAF (0.51) NTRK1SYKKMT2ACREBBPGRM5
SCHEMBL2827142 0.75 GRM5 (0.47) SYKGRM5
SCHEMBL2826666 0.75 ROCK1 (0.46) SYKKMT2AGRM5FYN
SCHEMBL2826251 0.74 SYK (0.44) SYKGRM5LMNA
SCHEMBL2824774 0.74 CDK4 (0.48) KMT2AGRM5

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 NTRK1 330/4885GPR142 54/4885SYK 3189/4885

“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.