SCHEMBL2828071

SCHEMBL2828071

Cc1nc(C(=O)N(C)c2ccncc2)c(Nc2cncc(C(N)=O)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
IKBKE Q14164 4/20 0.36
TBK1 Q9UHD2 4/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
EPHB2 P29323 1/20 0.34
DDR1 Q08345 1/20 0.34
DDR2 Q16832 1/20 0.34
JAK2 O60674 1/20 0.33
NAMPT P43490 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL2829394 0.79 ABCG2 (0.45) GRM5KDM4EKMT2ALMNA
SCHEMBL2826306 0.75 GRM5 (0.74) GRM5SIRT2SIRT1SIRT3KMT2A
SCHEMBL2828474 0.70 CYP17A1 (0.39) IKBKETBK1KDM4EKMT2ALMNA
SCHEMBL2828895 0.69 BRD4 (0.49) GRM5JAK2NAMPT
SCHEMBL2826666 0.67 ROCK1 (0.46) GRM5KMT2AEPHB2
SCHEMBL2827809 0.67 GRM5 (0.50) GRM5IKBKETBK1KDM4EKMT2A
SCHEMBL2829162 0.66 GRM5 (0.47) GRM5KDM4E
SCHEMBL30834600 0.66 SIRT3 (0.55) SIRT2SIRT1SIRT3KDM4EKMT2A
SCHEMBL2829111 0.64 GRM5 (0.50) GRM5KDM4E
SCHEMBL2829048 0.64 GRM5 (0.46) GRM5KDM4E

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 9 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
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 GRM5 4/4885SIRT2 2275/4885SIRT1 2859/4885

“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.