Sugi Predict

Sugi Predict / Compounds / SCHEMBL13748818

SCHEMBL13748818

SCHEMBL13748818

COc1cc(C#N)c(C(C)C)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ AR P10275 4/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ IMPDH1 P20839 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL13748281 0.89 AR (0.41) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL13748310 0.89 AR (0.36) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL13748982 0.87 CYP11B1 (0.39) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL13748102 0.82 CYP11B1 (0.40) ALDH1A1ARCYP11B1CYP11B2
SCHEMBL13748091 0.79 GLA (0.40) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL13748332 0.79 KDM5A (0.32) AKR1B1CYP11B1CYP11B2
SCHEMBL13749038 0.77 ALDH1A1 (0.33) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL13748320 0.77 KDM5A (0.43) ALDH1A1ARPGR
SCHEMBL24407384 0.76 KDM5A (0.37) ALDH1A1KDM4ECASP1HSD17B10AR
SCHEMBL13755092 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EGAAGLAL3MBTL1

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 6 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

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 ALDH1A1 3705/4885KDM4E 201/4885GAA 3002/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885KDM4E 201/4885GAA 3002/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ALDH1A1 3705/4885KDM4E 201/4885GAA 3002/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885KDM4E 201/4885GAA 3002/4885

“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.