SCHEMBL1196282

SCHEMBL1196282

N#Cc1ccc(C2CCn3cncc32)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 10/20 0.35
KCNH2 Q12809 4/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
PGGT1B P53609 1/20 0.32
XDH P47989 1/20 0.32
AR P10275 1/20 0.32
CYP3A4 P08684 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
SCHEMBL1180224 0.88 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2
SCHEMBL5569827 0.83 CYP17A1 (0.45) CYP17A1CYP19A1KCNH2CYP11B1CYP11B2
SCHEMBL1180028 0.81 CYP19A1 (0.49) CYP17A1CYP19A1KCNH2CYP11B1CYP11B2
SCHEMBL5573331 0.81 CYP17A1 (0.41) CYP17A1CYP11B1CYP11B2
SCHEMBL5569838 0.81 CYP17A1 (0.41) CYP17A1CYP19A1KCNH2CYP11B1CYP11B2
SCHEMBL1768475 0.77 CYP11B1 (0.34) CYP17A1CYP19A1CYP11B1CYP11B2FNTA
SCHEMBL1180719 0.77 CYP17A1 (0.52) CYP17A1
SCHEMBL1180760 0.75 CYP17A1 (0.42) CYP17A1CYP19A1KCNH2CYP11B1CYP11B2
SCHEMBL5048062 0.73 CYP19A1 (0.48) CYP17A1CYP19A1KCNH2CYP11B1CYP11B2
SCHEMBL5571001 0.73 CYP19A1 (0.48) CYP17A1CYP19A1KCNH2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
CN-101326184-B Bis-heterocyclic imidazolyl compounds SPEEDEL EXPERIMENTA AG 2011-11-23 CN disclosed
US-8008334-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2011-08-30 US disclosed
US-8008334-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2011-08-30 US disclosed
US-8008334-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2011-08-30 US disclosed
CN-102115473-A Bis-heterocyclic imidazolyl compounds SPEEDEL EXPERIMENTA AG 2011-07-06 CN disclosed
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS HEROLD PETER 2011-02-03 US disclosed
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS HEROLD PETER 2011-02-03 US disclosed
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS HEROLD PETER 2011-02-03 US disclosed
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds NOVARTIS AG (CH) 2009-08-06 US disclosed
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds NOVARTIS AG (CH) 2009-08-06 US disclosed
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds NOVARTIS AG (CH) 2009-08-06 US disclosed
CN-101326184-A Bis-heterocyclic imidazolyl compounds SPEEDEL EXPERIMENTA AG (CH) 2008-12-17 CN disclosed
EP-1957489-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
WO-2007065942-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-06-14 WO disclosed
WO-2007065942-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-06-14 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-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS CYP11B1, CYP11B2, REN CYP17A1 10/4885CYP19A1 43/4885KCNH2 1222/4885
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds REN, CYP11B1, CYP11B2 CYP17A1 13/4885CYP19A1 92/4885KCNH2 1231/4885

“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.