SCHEMBL368784

SCHEMBL368784

Cc1ccnc(Nc2nc(-c3c[nH]nc3-c3ccccc3Cl)cs2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 3/20 0.40
GRM4 Q14833 2/20 0.40
GRM8 O00222 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL369982 0.90 KMT2A (0.49) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL12482631 0.88 VCP (0.43) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL370036 0.88 RAB9A (0.52) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL15166591 0.87 VCP (0.47) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL15166594 0.87 NPC1 (0.46) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL370966 0.85 GRM4 (0.45) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL15166710 0.85 MAPT (0.45) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL15166813 0.84 MEN1 (0.50) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL369836 0.84 MEN1 (0.41) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL369755 0.83 GRM4 (0.42) NPC1RAB9AKMT2AMEN1ATM

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 2094/4885L3MBTL1 4265/4885

“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.