SCHEMBL1328246

SCHEMBL1328246

CCc1cccc(CC)c1-c1cc(-c2ccc(C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)c(CN2CCCC(C)(C)C2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
CD274 Q9NZQ7 5/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.34
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
DHODH Q02127 1/20 0.34
C5AR1 P21730 1/20 0.33

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 0.81 DHODH (0.36) CD274SMN1; SMN2KDM4EDHODH
SCHEMBL1327595 0.79 KDM4E (0.37) CD274HSP90AA1KDM4EDHODH
SCHEMBL1327112 0.78 MCL1 (0.42) MCL1KMT2AMEN1HSP90AA1DHODH
SCHEMBL1328700 0.74 C5AR1 (0.39) KDM4EC5AR1
SCHEMBL2143361 0.74 MAPT (0.36) ALDH1A1KDM4EGAA
SCHEMBL1327250 0.73 C5AR1 (0.38) KMT2APOLBMEN1ALDH1A1LMNA
SCHEMBL2138917 0.70 ALDH1A1 (0.32) KMT2APOLBMEN1ALDH1A1LMNA
SCHEMBL1328783 0.70 HTT (0.41) ALDH1A1LMNASMN1; SMN2C5AR1
SCHEMBL2138907 0.69 KMT2A (0.34) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL1330420 0.69 RECQL (0.37) KMT2APOLBMEN1ALDH1A1KDM4E

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 8 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
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-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
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 MCL1 3455/4885CD274 1147/4885KMT2A 3960/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MCL1 3455/4885CD274 1147/4885KMT2A 3960/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 MCL1 3806/4885CD274 1071/4885KMT2A 4120/4885

“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.