SCHEMBL2829389

SCHEMBL2829389

COC(=O)c1cccc(Nc2sc(C)nc2C(=O)Nc2ccnc(C)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.69
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 3/20 0.47
ROCK1 Q13464 1/20 0.47
HIF1A Q16665 1/20 0.45
HTT P42858 1/20 0.45
GPR17 Q13304 1/20 0.44
TSHR P16473 2/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL2830779 0.90 GRM5 (0.71) GRM5SMN1; SMN2TP53RAB9AHTT
SCHEMBL2826005 0.86 GRM5 (0.50) GRM5SMN1; SMN2TP53MAPTRAB9A
SCHEMBL2824776 0.84 GRM5 (0.67) GRM5TP53MAPTTSHRALDH1A1
SCHEMBL2828570 0.81 GRM5 (0.67) GRM5MAPK1KDR
SCHEMBL24010653 0.81 ROCK1 (0.61) SMN1; SMN2TP53MAPTRAB9AROCK1
SCHEMBL2826306 0.78 GRM5 (0.74) GRM5MAPT
SCHEMBL2828893 0.78 GRM5 (0.60) GRM5MAPT
SCHEMBL2831124 0.76 GRM5 (0.64) GRM5RAB9AKDR
SCHEMBL2824929 0.76 CA12 (0.55) GRM5SMN1; SMN2TP53MAPTRAB9A
SCHEMBL5185928 0.75 TP53 (0.44) GRM5SMN1; SMN2TP53MAPTRAB9A

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 GRM5 4/4885SMN1; SMN2 3071/4885TP53 4722/4885

“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.