SCHEMBL1329216

SCHEMBL1329216

CCc1cccc(CC)c1-c1nc(C)c(COc2cc(C)c(C)c(C)c2)c(OC)c1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 14/20 0.33
C5AR1 P21730 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
CRHR1 P34998 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL1329557 0.92 POLB (0.39) CD274KDM4ENR1H4
SCHEMBL1328302 0.91 MAPT (0.38) C5AR1CCNB2CDK1CDK4CCNB1
SCHEMBL1327226 0.91 CD274 (0.33) CD274KCNH2CACNA1CSCN5ACRHR1
SCHEMBL1329444 0.88 KCNH2 (0.36) CD274KCNH2CCNB2CDK1CDK4
SCHEMBL1327657 0.88 MEN1 (0.38) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1328502 0.87 KDM4E (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1329202 0.86 RAB9A (0.37) CRHR1KDM4E
SCHEMBL1328554 0.85 MAOB (0.37) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1329949 0.85 L3MBTL1 (0.37) C5AR1CRHR1KDM4ENR1H4
SCHEMBL1329334 0.85 PTGER4 (0.40) CD274CCNB2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 CD274 1147/4885C5AR1 2/4885KCNH2 1245/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CD274 1147/4885C5AR1 2/4885KCNH2 1245/4885

“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.