SCHEMBL3354822

SCHEMBL3354822

COc1ccc(Cn2ncc(/C(N)=N/O)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 9/20 0.45
MCHR1 Q99705 1/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
UCHL1 P09936 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 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
SCHEMBL3354825 1.00 NPBWR1 (0.45) NPBWR1MCHR1GAASMN1; SMN2KMT2A
SCHEMBL3356442 0.84 NPBWR1 (0.47) NPBWR1MCHR1SMN1; SMN2KMT2AUCHL1
SCHEMBL23206336 0.79 SMN1; SMN2 (0.52) NPBWR1MCHR1GAASMN1; SMN2KMT2A
SCHEMBL3354829 0.77 NPBWR1 (0.45) NPBWR1MCHR1SMN1; SMN2KMT2AUCHL1
SCHEMBL17458965 0.76 NPBWR1 (0.52) NPBWR1MCHR1GAASMN1; SMN2UCHL1
SCHEMBL13964565 0.76 NPBWR1 (0.55) NPBWR1MCHR1SMN1; SMN2UCHL1ALDH1A1
SCHEMBL21436815 0.75 NPBWR1 (0.46) NPBWR1MCHR1SMN1; SMN2KMT2AUCHL1
SCHEMBL13723573 0.75 NPBWR1 (0.65) NPBWR1MCHR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3359630 0.74 GAA (0.43) GAASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL3359632 0.74 GAA (0.43) GAASMN1; SMN2KMT2AALDH1A1MAPT

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 608/4885MCHR1 289/4885GAA 3141/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPBWR1 684/4885MCHR1 277/4885GAA 3066/4885

“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.