Sugi Predict

Sugi Predict / Compounds / SCHEMBL13748261

SCHEMBL13748261

SCHEMBL13748261

CCSc1cc(C#N)c(C(C)C)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.44
▸ MAOB P27338 4/20 0.44
▸ MAPK1 P28482 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ AR P10275 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL13748266 0.90 MAOB (0.40) MAOAMAOBMAPK1PKMAR
SCHEMBL13748017 0.79 MAOA (0.40) MAOAMAOBARKDM5AMCL1
SCHEMBL13755089 0.79 PKM (0.41) MAOAMAOBMAPK1PKMAR
SCHEMBL13748048 0.77 AR (0.49) MAOAMAOBARKDM5AMCL1
SCHEMBL15097608 0.74 AR (0.39) MAOAMAOBARKDM5AMCL1
SCHEMBL13748759 0.74 SLC6A4 (0.38) MAOAMAPK1SLC6A4ALDH1A1
SCHEMBL14331581 0.71 MAOB (0.37) MAOAMAOBMAPK1PKMAR
SCHEMBL24407384 0.71 KDM5A (0.37) MAOAMAOBARKDM5AKDM4E
SCHEMBL22620777 0.70 MAOB (0.47) MAOAMAOBPKMARGAA
SCHEMBL13748091 0.70 GLA (0.40) MAOBARGAAKDM5AKDM4E

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 7 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-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 MAOA 3578/4885MAOB 3692/4885MAPK1 73/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAOA 3578/4885MAOB 3692/4885MAPK1 73/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 MAOA 3578/4885MAOB 3692/4885MAPK1 73/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAOA 3578/4885MAOB 3692/4885MAPK1 73/4885

“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.