SCHEMBL371091

SCHEMBL371091

COCc1c(C(=O)CBr)cnn1Cc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.45
GSK3B P49841 1/20 0.43
MCHR1 Q99705 1/20 0.42
UCHL1 P09936 1/20 0.41
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
CMA1 P23946 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3360098 0.89 NPBWR1 (0.46) NPBWR1GSK3BMCHR1UCHL1PTPN1
SCHEMBL369444 0.86 NPBWR1 (0.48) NPBWR1MCHR1UCHL1PTPN1NPC1
SCHEMBL370914 0.86 NPBWR1 (0.48) NPBWR1MCHR1UCHL1NPC1LMNA
SCHEMBL369974 0.86 NPBWR1 (0.48) NPBWR1MCHR1UCHL1NPC1LMNA
SCHEMBL2508842 0.86 NPBWR1 (0.44) NPBWR1GSK3BMCHR1UCHL1PTPN1
SCHEMBL368793 0.83 NPBWR1 (0.45) NPBWR1MCHR1UCHL1ALOX15L3MBTL1
SCHEMBL370615 0.81 NPBWR1 (0.44) NPBWR1MCHR1UCHL1PTPN1NPC1
SCHEMBL3358730 0.80 NPBWR1 (0.48) NPBWR1GSK3BMCHR1UCHL1NPC1
SCHEMBL3356508 0.75 NPBWR1 (0.49) NPBWR1MCHR1UCHL1NPC1LMNA
SCHEMBL3357317 0.75 NPBWR1 (0.49) NPBWR1MCHR1UCHL1PTPN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 NPBWR1 582/4885GSK3B 2654/4885MCHR1 503/4885

“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.