SCHEMBL13748719

SCHEMBL13748719

CC(=O)c1cccnc1Nc1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 5/20 0.52
HTT P42858 2/20 0.52
DHODH Q02127 4/20 0.52
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 4/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.48
AHR P35869 1/20 0.47
GFER P55789 1/20 0.46

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
SCHEMBL5078987 0.87 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL7272538 0.85 KDM4E (0.66) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL13134029 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL16627422 0.83 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL16627418 0.82 RAB9A (0.57) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL16627414 0.82 RAB9A (0.79) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL538171 0.81 KMT2A (0.51) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL7982557 0.80 NPC1 (0.52) ALDH1A1RAB9AHPGDMAPTHTT
SCHEMBL16627416 0.80 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1RAB9AHPGDMAPT
SCHEMBL846930 0.80 DHODH (0.76) SMN1; SMN2ALDH1A1RAB9AMAPTHTT

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 SMN1; SMN2 3556/4885ALDH1A1 3705/4885RAB9A 2364/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 SMN1; SMN2 3556/4885ALDH1A1 3705/4885RAB9A 2364/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 SMN1; SMN2 3556/4885ALDH1A1 3705/4885RAB9A 2364/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 SMN1; SMN2 3556/4885ALDH1A1 3705/4885RAB9A 2364/4885

“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.