SCHEMBL1180028

SCHEMBL1180028

N#Cc1ccc(C2CCn3cncc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.49
CYP17A1 P05093 1/20 0.47
CYP11B2 P19099 9/20 0.47
CYP11B1 P15538 8/20 0.47
KCNH2 Q12809 1/20 0.47
KDM1A O60341 1/20 0.37

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
SCHEMBL5133449 0.91 CYP19A1 (0.48) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL5571001 0.91 CYP19A1 (0.48) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL5048062 0.91 CYP19A1 (0.48) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL1196282 0.81 CYP17A1 (0.50) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL12871217 0.80 CYP19A1 (0.45) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL12313924 0.80 CYP19A1 (0.45) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL1180966 0.80 CYP19A1 (0.45) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL12871218 0.80 CYP19A1 (0.45) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL8236808 0.80 CYP19A1 (0.45) CYP19A1CYP17A1CYP11B2CYP11B1KCNH2
SCHEMBL1180224 0.78 CYP17A1 (0.47) CYP17A1CYP11B2CYP11B1KDM1A

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 CYP19A1 43/4885CYP17A1 10/4885CYP11B2 2/4885
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds REN, CYP11B1, CYP11B2 CYP19A1 92/4885CYP17A1 13/4885CYP11B2 3/4885

“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.