SCHEMBL369359

SCHEMBL369359

COc1ccc(Cn2cc(-c3csc(Nc4nccc(C)n4)n3)c(C3=CCNC3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.35
NPC1 O15118 5/20 0.35
MEN1 O00255 5/20 0.35
RAB9A P51151 4/20 0.35
AMY1A P0DUB6 1/20 0.35
WNT3A P56704 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
GAA P10253 4/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
NAMPT P43490 1/20 0.33
TRPV4 Q9HBA0 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 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
SCHEMBL2512904 0.84 RAB9A (0.44) KMT2ANPC1MEN1RAB9AAMY1A
SCHEMBL369911 0.83 WNT3A (0.37) KMT2AMEN1AMY1AWNT3ASMN1; SMN2
SCHEMBL370330 0.83 WNT3A (0.37) KMT2ANPC1MEN1RAB9AAMY1A
SCHEMBL366183 0.82 MEN1 (0.40) KMT2ANPC1MEN1RAB9AAMY1A
SCHEMBL369452 0.81 KDM1A (0.38) KMT2AMEN1AMY1AWNT3ASMN1; SMN2
SCHEMBL369474 0.80 WNT3A (0.39) KMT2ANPC1MEN1RAB9AAMY1A
SCHEMBL2536307 0.80 MAPT (0.42) KMT2ANPC1MEN1RAB9AAMY1A
SCHEMBL370432 0.75 RAB9A (0.45) KMT2ANPC1MEN1RAB9AWNT3A
SCHEMBL370879 0.73 MEN1 (0.44) KMT2ANPC1MEN1RAB9AAMY1A
SCHEMBL370525 0.72 KMT2A (0.46) KMT2ANPC1MEN1RAB9AAMY1A

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 KMT2A 1336/4885NPC1 1289/4885MEN1 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.