SCHEMBL370141

SCHEMBL370141

Cc1ccnc(Nc2nc(-c3c[nH]nc3-c3cccc(C(N)=O)c3)cs2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.44
RAB9A P51151 11/20 0.44
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SYK P43405 2/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
DYRK1A Q13627 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL15166813 0.87 MEN1 (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL370036 0.85 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12482779 0.83 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12482371 0.82 CYP1A2 (0.44) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL369488 0.81 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL370966 0.81 GRM4 (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL369556 0.80 RAB9A (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL369668 0.80 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL369982 0.80 KMT2A (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15166638 0.79 KIT (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 6 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 claimed
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 claimed
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 claimed
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 NPC1 1289/4885RAB9A 2094/4885MAPT 971/4885

“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.