SCHEMBL369447

SCHEMBL369447

CNC(=O)c1c(-c2csc(Nc3nccc(C)n3)n2)cnn1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AMY1A P0DUB6 1/20 0.39
ROCK1 Q13464 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ROCK2 O75116 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.38
CSNK2A1 P68400 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL369558 0.93 CSNK2A1 (0.42) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL369239 0.89 WNT3A (0.40) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL370432 0.77 RAB9A (0.45) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL2536307 0.76 MAPT (0.42) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL366183 0.75 MEN1 (0.40) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL369474 0.73 WNT3A (0.39) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL369500 0.73 GRM4 (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL369911 0.73 WNT3A (0.37) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL2512904 0.73 RAB9A (0.44) WNT3AKMT2AMEN1MAPTHTT
SCHEMBL370330 0.71 WNT3A (0.37) WNT3AKMT2AMEN1MAPTHTT

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 WNT3A 4152/4885KMT2A 1336/4885MEN1 4364/4885

“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.