SCHEMBL1037792

SCHEMBL1037792

CC1(c2ccc(C#N)cc2F)CCc2cncn21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 18/20 0.64
CYP19A1 P11511 5/20 0.51
CYP11B1 P15538 5/20 0.46
CYP17A1 P05093 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL13563928 0.81 CYP11B2 (0.80) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1036638 0.81 CYP11B2 (0.79) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1039271 0.79 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1041615 0.79 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1037722 0.78 CYP11B2 (0.54) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL23047216 0.76 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1038001 0.76 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1039619 0.76 CYP11B2 (0.52) CYP11B2CYP19A1CYP11B1
SCHEMBL13564579 0.70 CYP11B2 (0.63) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL13563927 0.70 CYP11B2 (0.63) CYP11B2CYP19A1CYP11B1CYP17A1HRH1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 EP disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
EP-1919916-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE Novartis AG (CH) 2008-05-14 EP disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US disclosed
WO-2007024945-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2007-03-01 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885CYP11B1 5/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885CYP11B1 5/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885CYP11B1 5/4885

“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.