SCHEMBL7962503

SCHEMBL7962503

N#Cc1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.52
KCNH2 Q12809 3/20 0.51
PIN1 Q13526 1/20 0.47
USP30 Q70CQ3 1/20 0.46
CSNK1A1 P48729 2/20 0.45
CSNK1D P48730 2/20 0.45
GSK3B P49841 1/20 0.45
CSNK1G2 P78368 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CHEK2 O96017 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
ADRA1A P35348 3/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL3787151 0.91 MEN1 (0.44) NPY5RKCNH2USP30MEN1NPC1
SCHEMBL7962507 0.82 NPY5R (0.60) NPY5RKCNH2MEN1NPC1RAB9A
SCHEMBL7969172 0.82 NPC1 (0.53) NPY5RKCNH2MEN1NPC1RAB9A
SCHEMBL10140665 0.80 MEN1 (0.45) NPY5RKCNH2MEN1NPC1RAB9A
SCHEMBL7973223 0.79 NPY5R (0.62) NPY5RKCNH2ADRA1A
SCHEMBL7970001 0.79 GFER (0.56) NPY5RUSP30MEN1NPC1RAB9A
SCHEMBL7973969 0.78 CHEK2 (0.57) NPY5RCHEK2PKN1PKN2
SCHEMBL7976233 0.77 PRSS1 (0.52) NPY5RCHEK2
SCHEMBL3791087 0.75 NPC1 (0.47) NPY5RKCNH2MEN1NPC1RAB9A
SCHEMBL7973178 0.73 NPY5R (0.56) NPY5RMEN1KMT2APKN1PKN2

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
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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 (1 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 NPY5R 652/4885KCNH2 2017/4885PIN1 1083/4885

“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.