SCHEMBL171670

SCHEMBL171670

Cc1ccc(CN(C)Cc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
MMP13 P45452 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 2/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL30093206 0.91 KDM4E (0.53) PYCR1NPSR1SMN1; SMN2KDM4ECHRNB2
SCHEMBL27947483 0.89 SMN1; SMN2 (0.50) MMP13SMN1; SMN2KDM4ECHRNB2CHRNA4
SCHEMBL16312619 0.87 PYCR1 (0.65) PYCR1NPSR1SMN1; SMN2KDM4EKMT2A
SCHEMBL2348799 0.82 CYP3A4 (0.55) SMN1; SMN2KDM4EKMT2ALMNACHRNB2
SCHEMBL11996063 0.80 CHRM5 (0.45) PYCR1NPSR1MMP13SMN1; SMN2NPC1
SCHEMBL12195600 0.80 CHRNB2 (0.69) NPSR1SMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL733206 0.78 CHRNB2 (0.62) SMN1; SMN2KDM4ECHRNB2CHRNA4
SCHEMBL10194246 0.78 CYP2C19 (0.61) PYCR1NPSR1SMN1; SMN2KDM4ELMNA
SCHEMBL171160 0.78 CYP17A1 (0.54) SMN1; SMN2NPC1KMT2ARAB9ALMNA
SCHEMBL8361590 0.78 NPC1 (0.58) SMN1; SMN2NPC1KMT2ARAB9ALMNA

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 16 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
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2316831-A1 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer Novartis AG (CH) 2011-05-04 EP disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US 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
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 PYCR1 635/4885NPSR1 384/4885MMP13 4538/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 PYCR1 644/4885NPSR1 390/4885MMP13 4515/4885
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA PYCR1 4582/4885NPSR1 4374/4885MMP13 2496/4885

“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.