Sugi Predict

Sugi Predict / Compounds / SCHEMBL13748232

SCHEMBL13748232

SCHEMBL13748232

CC(C)c1ccc(CC#N)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ PANK3 Q9H999 2/20 0.32
▸ AR P10275 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ KDM5B Q9UGL1 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ USP8 P40818 1/20 0.30

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
SCHEMBL11813521 0.86 CYP11B1 (0.37) ENPP2CYP11B1CYP11B2KDM4ETDP1
SCHEMBL19105512 0.84 CYP2A6 (0.44) KDM4ETDP1MAOBMAOAPANK3
SCHEMBL3903872 0.82 ACACB (0.34) MAOBMAOAPANK3ARCYP2A6
SCHEMBL31435308 0.82 ACACB (0.34) MAOBMAOAPANK3ARCYP2A6
SCHEMBL3901575 0.82 GABRA1 (0.37) CYP11B1CYP11B2MAOBMAOAPANK3
SCHEMBL24232843 0.82 GABRA1 (0.41) MAOBMAOAPANK3ESR1ESR2
SCHEMBL12251204 0.80 ESR1 (0.41) ENPP2KDM4ETDP1MMP3ESR1
SCHEMBL15716157 0.79 MAOB (0.34) KDM4EMAOBMAOAPANK3AR
SCHEMBL21736919 0.77 MEN1 (0.33) AR
SCHEMBL24108405 0.77 MAOB (0.44) ENPP2CYP11B1CYP11B2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 — — US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 — — US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — 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 (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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ENPP2 658/4885CYP11B1 4253/4885CYP11B2 4233/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ENPP2 658/4885CYP11B1 4253/4885CYP11B2 4233/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ENPP2 658/4885CYP11B1 4253/4885CYP11B2 4233/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ENPP2 658/4885CYP11B1 4253/4885CYP11B2 4233/4885

“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.