SCHEMBL370330

SCHEMBL370330

COC(=O)N1CC=C(c2nn(Cc3ccc(OC)cc3)cc2-c2csc(Nc3nccc(C)n3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.37
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 6/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK1 Q13464 3/20 0.34
ALDH1A1 P00352 2/20 0.34
AMY1A P0DUB6 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
SYK P43405 2/20 0.33

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
SCHEMBL369911 0.94 WNT3A (0.37) WNT3ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL369452 0.94 KDM1A (0.38) WNT3ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL369359 0.83 KMT2A (0.35) WNT3ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2512904 0.81 RAB9A (0.44) WNT3ACYP1A2MAPTKMT2AMEN1
SCHEMBL369284 0.80 TRPV4 (0.38) WNT3AMAPTKMT2AMEN1HTT
SCHEMBL366183 0.79 MEN1 (0.40) WNT3ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2536307 0.78 MAPT (0.42) WNT3ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL369474 0.77 WNT3A (0.39) WNT3ACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL370432 0.73 RAB9A (0.45) WNT3AMAPTKMT2AMEN1HTT
SCHEMBL12482588 0.72 TRPV4 (0.39) WNT3AMAPTKMT2AMEN1SMN1; SMN2

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 4152/4885CYP3A4 1917/4885CYP1A2 2969/4885

“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.