SCHEMBL369065

SCHEMBL369065

COc1ccc(Cn2cc(C(=O)CBr)c(C(F)F)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.46
GSK3B P49841 1/20 0.43
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
KMT2A Q03164 2/20 0.41
AADAT Q8N5Z0 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HDAC1 Q13547 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SNCA P37840 1/20 0.38
CHRM1 P11229 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL370457 0.87 KLKB1 (0.48) KLKB1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL370325 0.83 GSK3B (0.47) GSK3BCACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL25198644 0.83 GSK3B (0.47) KLKB1GSK3BCACNA1GCACNA1HCACNA1I
SCHEMBL1046790 0.83 GSK3B (0.47) KLKB1GSK3BCACNA1GCACNA1HCACNA1I
SCHEMBL369607 0.82 KLKB1 (0.47) KLKB1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL3356363 0.81 GAA (0.51) KLKB1GSK3B
SCHEMBL369529 0.81 KLKB1 (0.48) KLKB1GSK3B
SCHEMBL3357203 0.81 GSK3B (0.44) KLKB1GSK3BCACNA1GCACNA1HCACNA1I
SCHEMBL2506571 0.81 GSK3B (0.42) KLKB1GSK3BCACNA1GCACNA1HCACNA1I
SCHEMBL369274 0.76 GSK3B (0.40) KLKB1GSK3BCACNA1GCACNA1HCACNA1I

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 KLKB1 4382/4885GSK3B 2654/4885CACNA1G 325/4885

“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.