SCHEMBL369997

SCHEMBL369997

c1ccc(Nc2nc(-c3c[nH]nc3N3CCOCC3)cs2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.52
NPC1 O15118 13/20 0.51
RAB9A P51151 12/20 0.51
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
KCNH2 Q12809 1/20 0.51
MECP2 P51608 1/20 0.50
KCNN1 Q92952 1/20 0.50
KCNN2 Q9H2S1 1/20 0.50
MBD2 Q9UBB5 1/20 0.50
KCNN3 Q9UGI6 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
TP53 P04637 3/20 0.48

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
SCHEMBL370820 0.80 CYP1A2 (0.43) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL370647 0.78 MEN1 (0.52) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL371001 0.77 NPC1 (0.61) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL370860 0.77 GRM4 (0.64) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL18029530 0.77 NPC1 (0.55) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL29427799 0.77 NPC1 (0.55) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL370631 0.76 NPC1 (0.68) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL369826 0.76 GRM4 (0.56) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL370539 0.76 GRM4 (0.58) GRM4NPC1RAB9AMEN1KMT2A
SCHEMBL370409 0.75 GRM4 (0.57) GRM4NPC1RAB9AMEN1KMT2A

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 4 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
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 GRM4 2/4885NPC1 1289/4885RAB9A 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.