SCHEMBL171805

SCHEMBL171805

Cc1ccc(NCc2ccncc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
ALDH1A1 P00352 2/20 0.64
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 2/20 0.61
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
GAA P10253 1/20 0.61
THRB P10828 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
CASP1 P29466 1/20 0.61
BLM P54132 1/20 0.61
PLEC Q15149 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RAB9A P51151 2/20 0.59

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
SCHEMBL19242049 0.89 KDM4E (0.61) HTTALDH1A1MAPTKDM4EPOLB
SCHEMBL8619703 0.89 ALDH1A1 (0.59) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL10055032 0.85 MAPT (0.80) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL19241691 0.85 F2 (0.56) HTTALDH1A1MAPTKDM4EGAA
SCHEMBL2005375 0.85 MAPT (0.80) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL19241983 0.83 KDM4E (0.56) HTTALDH1A1MAPTKDM4EPOLB
SCHEMBL19242051 0.81 F2 (0.61) HTTALDH1A1MAPTKDM4EGAA
Pyridine SCHEMBL28811103 0.80 HTT (0.60) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5998625 0.80 KCNH3 (0.68) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL6714608 0.80 KDM4E (0.53) HTTALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 US 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 (3 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C HTT 3568/4885ALDH1A1 1891/4885MAPT 3337/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 HTT 2882/4885ALDH1A1 2839/4885MAPT 2624/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 HTT 2857/4885ALDH1A1 2815/4885MAPT 2635/4885

“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.