SCHEMBL368961

SCHEMBL368961

N#Cc1cccc(-c2c[nH]nc2-c2csc(Nc3ncccn3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
MAPT P10636 5/20 0.48
CYP1A2 P05177 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
TYR P14679 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL12482062 0.92 MEN1 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL12482371 0.83 CYP1A2 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL370431 0.74 CYP1A2 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29427793 0.72 NPC1 (0.68) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL18029557 0.72 NPC1 (0.68) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1847072 0.71 CLK4 (0.45) CYP1A2IDO1CYP3A4CLK4LRRK2
SCHEMBL15166813 0.70 MEN1 (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL370036 0.69 RAB9A (0.52) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5880679 0.68 ADORA3 (0.56) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL24963519 0.68 AURKA (0.45) IDO1CLK4LRRK2

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 SMN1; SMN2 1485/4885MEN1 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.