SCHEMBL370325

SCHEMBL370325

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
KMT2A Q03164 3/20 0.44
HDAC1 Q13547 1/20 0.43
AADAT Q8N5Z0 1/20 0.42
NPC1 O15118 3/20 0.41
CACNA1G O43497 3/20 0.41
CACNA1H O95180 3/20 0.41
CACNA1I Q9P0X4 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.40
SNCA P37840 1/20 0.40
CMA1 P23946 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3A P49840 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL25198644 0.87 GSK3B (0.47) GSK3BKMT2AHDAC1AADATNPC1
SCHEMBL1046790 0.87 GSK3B (0.47) GSK3BKMT2AHDAC1AADATNPC1
SCHEMBL369567 0.87 KMT2A (0.46) GSK3BKMT2AHDAC1AADATNPC1
SCHEMBL370320 0.87 KMT2A (0.54) KMT2AHDAC1AADATNPC1CACNA1G
SCHEMBL15182553 0.87 KMT2A (0.46) GSK3BKMT2AHDAC1AADATNPC1
SCHEMBL369529 0.85 KLKB1 (0.48) GSK3B
SCHEMBL3357203 0.85 GSK3B (0.44) GSK3BKMT2AHDAC1AADATNPC1
SCHEMBL369424 0.84 UCHL1 (0.47) KMT2AHDAC1MEN1L3MBTL1GAA
SCHEMBL369065 0.83 KLKB1 (0.46) GSK3BKMT2AHDAC1AADATNPC1
SCHEMBL3356363 0.83 GAA (0.51) GSK3BGAA

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 GSK3B 2654/4885KMT2A 1336/4885HDAC1 1232/4885

“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.