SCHEMBL2829266

SCHEMBL2829266

CC(=O)Oc1ccc(NC(=O)c2nc(C)sc2Nc2cncnc2)nc1C

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.63
PDE10A Q9Y233 8/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL2829293 0.89 GRM5 (0.74) GRM5KMT2A
SCHEMBL2827810 0.79 GRM5 (0.41) GRM5NPC1RAB9AKMT2A
SCHEMBL2827669 0.78 GRM5 (0.65) GRM5PDE10A
SCHEMBL5184044 0.76 GRM5 (0.68) GRM5PDE10ANPC1RAB9A
SCHEMBL5198047 0.75 GRM5 (0.64) GRM5PDE10ANPC1RAB9A
SCHEMBL2828771 0.71 GRM5 (0.55) GRM5NPC1RAB9AKMT2A
SCHEMBL2824622 0.71 GRM5 (0.59) GRM5PDE10ANPC1RAB9A
SCHEMBL2829463 0.71 GRM5 (0.54) GRM5NPC1RAB9AKMT2A
SCHEMBL2825932 0.69 GRM5 (0.79) GRM5
SCHEMBL2846654 0.69 GRM5 (1.00) GRM5

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 GRM5 4/4885PDE10A 1697/4885NPC1 2568/4885

“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.