SCHEMBL1327595

SCHEMBL1327595

CCc1cccc(CC)c1-c1cc(-c2ccc(C(N)=O)c(O)c2)c(CN2CCCC(C)(C)C2)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PARP1 P09874 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DHODH Q02127 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PTPN11 Q06124 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL1327452 0.93 DHODH (0.36) KDM4EMAPTRAB9ADHODHPDCD1LG2
SCHEMBL2143361 0.86 MAPT (0.36) KDM4EMAPTRAB9APARP1
SCHEMBL1328700 0.80 C5AR1 (0.39) KDM4EMAPTRAB9A
SCHEMBL1328246 0.79 MCL1 (0.35) KDM4EDHODHCD274HSP90AA1
SCHEMBL1328878 0.75 SCN9A (0.41) KDM4EPARP1CD274
SCHEMBL1327250 0.75 C5AR1 (0.38) KDM4EMAPTRAB9A
SCHEMBL1326756 0.73 SCN9A (0.34) KDM4E
SCHEMBL4412563 0.73 GRM2 (0.40) PARP1GPR52
SCHEMBL1330020 0.73 KMT2A (0.33) MAPTRAB9A
SCHEMBL1327368 0.72 SCN9A (0.40) MAPTPARP1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 EP disclosed
EP-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 EP disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 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 (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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 KDM4E 2088/4885MAPT 4726/4885RAB9A 736/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 KDM4E 2088/4885MAPT 4726/4885RAB9A 736/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 KDM4E 2711/4885MAPT 4628/4885RAB9A 1247/4885

“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.