SCHEMBL369474

SCHEMBL369474

COc1ccc(Cn2cc(-c3csc(Nc4nccc(C)n4)n3)c(C(F)F)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
AMY1A P0DUB6 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 4/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
MAPT P10636 5/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ROCK1 Q13464 1/20 0.36
PTGS2 P35354 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 1/20 0.35
HDAC1 Q13547 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
SCHEMBL366183 0.87 MEN1 (0.40) WNT3AMEN1KMT2ANPC1RAB9A
SCHEMBL2512904 0.84 RAB9A (0.44) WNT3AMEN1KMT2ANPC1RAB9A
SCHEMBL2536307 0.84 MAPT (0.42) WNT3AMEN1KMT2ANPC1RAB9A
SCHEMBL369359 0.80 KMT2A (0.35) WNT3AMEN1KMT2ANPC1RAB9A
SCHEMBL370432 0.80 RAB9A (0.45) WNT3AMEN1KMT2ANPC1RAB9A
SCHEMBL370879 0.78 MEN1 (0.44) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL369911 0.77 WNT3A (0.37) WNT3AMEN1KMT2AAMY1ASMN1; SMN2
SCHEMBL370330 0.77 WNT3A (0.37) WNT3AMEN1KMT2ANPC1RAB9A
SCHEMBL369452 0.75 KDM1A (0.38) WNT3AMEN1KMT2AAMY1ASMN1; SMN2
SCHEMBL369558 0.74 CSNK2A1 (0.42) WNT3AMEN1KMT2ANPC1RAB9A

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 4152/4885MEN1 4364/4885KMT2A 1336/4885

“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.