SCHEMBL370879

SCHEMBL370879

COc1ccc(Cn2cc(-c3csc(Nc4ncccn4)n3)c(Br)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.44
KMT2A Q03164 13/20 0.44
RAB9A P51151 11/20 0.44
SMN1; SMN2 Q16637 11/20 0.44
MAPT P10636 11/20 0.44
NPC1 O15118 10/20 0.44
NFKB1 P19838 6/20 0.44
NFKB2 Q00653 6/20 0.44
RELA Q04206 6/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
AMY1A P0DUB6 1/20 0.44
ALDH1A1 P00352 6/20 0.44
TYR P14679 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.43
GAA P10253 6/20 0.43
ALOX5 P09917 3/20 0.40
CYP1A2 P05177 2/20 0.40
MCL1 Q07820 1/20 0.40

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 0.91 MEN1 (0.40) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL370525 0.82 KMT2A (0.46) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL2533440 0.80 RAB9A (0.51) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL2535401 0.79 NPC1 (0.60) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL2512904 0.79 RAB9A (0.44) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL370431 0.78 CYP1A2 (0.47) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL3354435 0.78 NPC1 (0.58) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL369474 0.78 WNT3A (0.39) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL2536307 0.77 MAPT (0.42) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL4237882 0.77 MEN1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2MAPT

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 MEN1 4364/4885KMT2A 1336/4885RAB9A 2094/4885

“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.