SCHEMBL3358730

SCHEMBL3358730

COc1ccc(Cn2ncc(C(=O)CBr)c2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.48
UCHL1 P09936 1/20 0.43
GSK3B P49841 2/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MCHR1 Q99705 1/20 0.41
AKR1C3 P42330 1/20 0.41
RAF1 P04049 3/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
EGFR P00533 1/20 0.40
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
SRC P12931 1/20 0.40
CCNB1 P14635 1/20 0.40
BRAF P15056 1/20 0.40
FGFR3 P22607 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 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
SCHEMBL3355835 0.87 NPBWR1 (0.51) NPBWR1UCHL1GSK3BGRIN1GRIN2B
SCHEMBL3356344 0.87 MEN1 (0.52) NPBWR1UCHL1GRIN1GRIN2BMCHR1
SCHEMBL28327863 0.86 NPBWR1 (0.50) NPBWR1UCHL1GSK3BGRIN1GRIN2B
SCHEMBL3360073 0.85 NPC1 (0.55) NPBWR1UCHL1MAPK1NPC1MEN1
SCHEMBL21333600 0.84 ALDH1A1 (0.47) GSK3BGRIN1GRIN2BNPC1MEN1
SCHEMBL7982141 0.84 NPBWR1 (0.48) NPBWR1GSK3BGRIN1GRIN2BMCHR1
SCHEMBL3360098 0.81 NPBWR1 (0.46) NPBWR1UCHL1GSK3BMCHR1NPC1
SCHEMBL371091 0.80 NPBWR1 (0.45) NPBWR1UCHL1GSK3BMCHR1NPC1
SCHEMBL2508842 0.78 NPBWR1 (0.44) NPBWR1UCHL1GSK3BMCHR1
SCHEMBL3356363 0.74 GAA (0.51) GSK3B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 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 (2 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 NPBWR1 608/4885UCHL1 3556/4885GSK3B 1639/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPBWR1 684/4885UCHL1 3651/4885GSK3B 1530/4885

“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.