SCHEMBL3356641

SCHEMBL3356641

COc1ccc(Cn2ncc(C#N)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.49
MCHR1 Q99705 1/20 0.48
PDE8B O95263 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
F2 P00734 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
LMNA P02545 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
MAOB P27338 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL21451164 0.87 NPBWR1 (0.45) NPBWR1MCHR1PDE8BALDH1A1MAPT
SCHEMBL16014455 0.84 KMT2A (0.54) NPBWR1MCHR1PDE8BALDH1A1KDM4E
SCHEMBL21493000 0.82 SLC2A1 (0.47) ALDH1A1MAPTKDM4EKMT2APKM
SCHEMBL4352982 0.82 TSHR (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL13964565 0.80 NPBWR1 (0.55) NPBWR1MCHR1ALDH1A1MAPTKDM4E
SCHEMBL28664688 0.80 NPBWR1 (0.56) NPBWR1MCHR1PDE8BALDH1A1KDM4E
SCHEMBL25345977 0.79 NPBWR1 (0.55) NPBWR1MCHR1ALDH1A1KDM4EPKM
SCHEMBL21436815 0.79 NPBWR1 (0.46) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13723573 0.79 NPBWR1 (0.65) NPBWR1MCHR1ALDH1A1MAPTKDM4E
SCHEMBL17458965 0.78 NPBWR1 (0.52) NPBWR1MCHR1ALDH1A1MAPTKDM4E

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 6 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
WO-2009010871-A2 PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR 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 289/4885PDE8B 2367/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPBWR1 684/4885MCHR1 277/4885PDE8B 2453/4885

“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.