SCHEMBL1039728

SCHEMBL1039728

COc1cc(C#N)c(OC)cc1C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.54
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
IMPDH2 P12268 2/20 0.46
IMPDH1 P20839 1/20 0.46
PGR P06401 1/20 0.44
HTR2A P28223 1/20 0.43
S1PR1 P21453 1/20 0.42
SRC P12931 1/20 0.41

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
SCHEMBL2761994 0.89 ALDH1A1 (0.59) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL13387367 0.87 ALDH1A1 (0.46) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL10541124 0.84 AR (0.47) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL1343373 0.84 ALDH1A1 (0.55) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL31554560 0.82 ALDH1A1 (0.55) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL12082090 0.82 AR (0.43) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL8437127 0.82 AR (0.47) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL14421871 0.82 AR (0.47) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL5326209 0.82 ALDH1A1 (0.50) ARKDM4EUSP2ALDH1A1IMPDH2
Acetonitrile SCHEMBL6315753 0.81 TAAR1 (0.47) ARKDM4EUSP2ALDH1A1

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 22 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-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-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
CN-102408429-B Condensed imidazolo derivatives for the inhibition of aldosterone synthase and aromatase NOVARTIS AG 2014-07-30 CN disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
EP-1919916-B1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2013-04-03 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-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
EP-1919916-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE Novartis AG (CH) 2008-05-14 EP disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-7232467-B2 Dyeing hair with capped diazonium compound; intense, striking coloration; light, shampoo and rub fastness; storage stability; nondamaging, nonstaining CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-19 US disclosed
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 US disclosed
US-7223295-B2 Dyeing hair with capped diazonium compound; intense, striking coloration; light, shampoo and rub fastness; storage stability; nondamaging, nonstaining CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-29 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 (6 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 AR 24/4885KDM4E 1352/4885USP2 3271/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 AR 24/4885KDM4E 1352/4885USP2 3271/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 AR 24/4885KDM4E 1352/4885USP2 3271/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AR 3101/4885KDM4E 201/4885USP2 1283/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 AR 3101/4885KDM4E 201/4885USP2 1283/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AR 3101/4885KDM4E 201/4885USP2 1283/4885

“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.