SCHEMBL13740949

SCHEMBL13740949

CC(C)C1CCCN(C(=O)CC#N)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK2 O60674 14/20 0.42
JAK3 P52333 14/20 0.42
JAK1 P23458 7/20 0.42
IRAK4 Q9NWZ3 3/20 0.41
TYK2 P29597 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL12384552 1.00 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL12384243 0.95 JAK2 (0.39) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL15827186 0.81 EPHX2 (0.44) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL24844030 0.81 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL12384822 0.81 EPHX2 (0.44) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL14426034 0.80 ALDH1A1 (0.63) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL12957767 0.80 ALDH1A1 (0.63) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL1629419 0.80 ALDH1A1 (0.63) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL14644693 0.80 ALDH1A1 (0.63) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL12384823 0.80 SMN1; SMN2 (0.43) ALDH1A1MEN1MAPTKMT2AJAK2

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 11 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 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
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 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 (5 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 3705/4885MEN1 1281/4885MAPT 4247/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 ALDH1A1 3857/4885MEN1 2160/4885MAPT 2554/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885MEN1 1281/4885MAPT 4247/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ALDH1A1 3705/4885MEN1 1281/4885MAPT 4247/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885MEN1 1281/4885MAPT 4247/4885

“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.