SCHEMBL169675

SCHEMBL169675

Cc1ccc(Cn2ccnc2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP19A1 P11511 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 3/20 0.47
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90B1 P14625 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL31270697 0.94 LMNA (0.74) LMNAL3MBTL1TP53MAPTALDH1A1
SCHEMBL31729500 0.89 LMNA (0.68) LMNAL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL301107 0.87 LMNA (0.66) LMNAL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL2950629 0.87 LMNA (0.71) LMNAL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL7807461 0.85 LMNA (0.64) LMNAL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL277927 0.85 LMNA (0.64) LMNAL3MBTL1CYP11B1CYP11B2ALDH1A1
SCHEMBL17102309 0.85 LMNA (0.64) LMNAL3MBTL1CYP11B1CYP11B2CYP19A1
SCHEMBL11113913 0.85 LMNA (0.64) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL26789087 0.85 LMNA (0.64) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL81625 0.85 LMNA (0.63) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A

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
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP 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-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 EP 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

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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 LMNA 3852/4885L3MBTL1 4739/4885TP53 4871/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 LMNA 3831/4885L3MBTL1 4740/4885TP53 4873/4885

“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.