SCHEMBL12752155

SCHEMBL12752155

Cc1cc(C#N)c2ccn(C(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.39
AR P10275 7/20 0.39
NR3C1 P04150 4/20 0.38
NR3C2 P08235 4/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
XDH P47989 1/20 0.33
IMPDH2 P12268 1/20 0.33

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
SCHEMBL14805105 0.83 PGR (0.44) PGRARNR3C1NR3C2KDM4E
SCHEMBL2590266 0.79 AR (0.45) PGRARNR3C1NR3C2
SCHEMBL14819171 0.78 IMPDH2 (0.43) PGRNR3C1NR3C2KDM4ETDP1
SCHEMBL14727014 0.75 P2RX3 (0.32)
SCHEMBL14727054 0.70 EZH2 (0.40) KDM4EALDH1A1
SCHEMBL18585239 0.70 MEN1 (0.38) PGRARNR3C1NR3C2
SCHEMBL1484637 0.69 KDM5A (0.34) PGRNR3C1NR3C2
SCHEMBL10095261 0.67 XDH (0.43) PGRARNR3C1NR3C2KDM4E
SCHEMBL28592975 0.67 XDH (0.45) PGRARNR3C1NR3C2KDM4E
SCHEMBL9043552 0.66 MAOA (0.41) ARKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US disclosed
US-20160074394-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2016-03-17 US disclosed
US-9242962-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-01-26 US disclosed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US disclosed
US-9114141-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-08-25 US disclosed
US-20150141436-A1 INDOLES KIDS2, INC. 2015-05-21 US disclosed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US disclosed
US-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US 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 (7 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-20160074394-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 PGR 4210/4885AR 2139/4885NR3C1 122/4885
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H PGR 1957/4885AR 2175/4885NR3C1 1133/4885
US-20150141436-A1 INDOLES IDO1, IDO2, INMT PGR 391/4885AR 262/4885NR3C1 1377/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 PGR 4210/4885AR 2139/4885NR3C1 122/4885
US-20150313887-A1 INDOLES IDO1, IDO2, INMT PGR 391/4885AR 262/4885NR3C1 1377/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT PGR 373/4885AR 241/4885NR3C1 1408/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT PGR 391/4885AR 262/4885NR3C1 1377/4885

“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.