SCHEMBL2829535

SCHEMBL2829535

COc1cncc(Nc2sc(C)nc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.44
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
GSK3A P49840 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.35
LMNA P02545 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL2829162 0.84 GRM5 (0.47) GRM5XDHSLC22A12NPC1RAB9A
SCHEMBL2829111 0.82 GRM5 (0.50) GRM5XDHSLC22A12NPC1PIK3R1
SCHEMBL2829048 0.82 GRM5 (0.46) GRM5XDHSLC22A12NPC1RAB9A
SCHEMBL2827590 0.81 GRM5 (0.43) GRM5MAPTKDM4E
SCHEMBL2827990 0.80 GRM5 (0.45) GRM5XDHSLC22A12NPC1RAB9A
SCHEMBL2824622 0.80 GRM5 (0.59) GRM5NPC1RAB9AMAPT
SCHEMBL2829786 0.79 TAS2R14 (0.50) GRM5SLC22A12CYP3A4CYP2C9
SCHEMBL2826426 0.79 GRM5 (0.43) GRM5NPC1RAB9APIK3R1PIK3CA
SCHEMBL2829433 0.79 GRM5 (0.43) GRM5NPC1PIK3CGKCNH2
SCHEMBL2825853 0.79 GRM5 (0.43) GRM5XDHSLC22A12NPC1RAB9A

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 8 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
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US 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 4/4885XDH 2643/4885SLC22A12 982/4885

“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.