SCHEMBL1036640

SCHEMBL1036640

COc1cccc(CN(C)C(=O)C2(c3ccc(C#N)cc3OC)CCc3cncn32)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.78
CYP19A1 P11511 2/20 0.51
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.36
WDR5 P61964 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.35
MMP13 P45452 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
HSD17B2 P37059 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1039703 0.92 CYP11B2 (0.84) CYP11B2CYP19A1KCNH2
SCHEMBL1040095 0.91 CYP11B2 (0.87) CYP11B2CYP19A1MEN1KMT2AALDH1A1
SCHEMBL13563947 0.88 CYP11B2 (0.87) CYP11B2CYP19A1KCNH2
SCHEMBL1040020 0.88 CYP11B2 (1.00) CYP11B2CYP19A1KCNH2
SCHEMBL1077921 0.87 CYP11B2 (0.79) CYP11B2CYP19A1MEN1KMT2ARAB9A
SCHEMBL1041072 0.85 CYP11B2 (0.79) CYP11B2CYP19A1KCNH2
SCHEMBL29884989 0.83 CYP11B2 (0.73) CYP11B2CYP19A1MEN1KMT2AALDH1A1
SCHEMBL1037643 0.83 CYP11B2 (0.73) CYP11B2CYP19A1MEN1KMT2AALDH1A1
SCHEMBL31326542 0.81 CYP11B2 (0.85) CYP11B2CYP19A1KCNH2
SCHEMBL1040554 0.81 CYP11B2 (0.85) CYP11B2CYP19A1KCNH2

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-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
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-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US disclosed
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US disclosed
EP-1919916-B1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2013-04-03 EP 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-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
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 (4 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 1/4885MEN1 1072/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885MEN1 1072/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885MEN1 1072/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885MEN1 1072/4885

“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.