SCHEMBL7973178

SCHEMBL7973178

CCOC(=O)c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.56
SIRT2 Q8IXJ6 7/20 0.52
SIRT1 Q96EB6 6/20 0.52
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
SIRT3 Q9NTG7 2/20 0.48
MAT2A P31153 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE2A O00408 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7973969 0.83 CHEK2 (0.57) NPY5RPKN1PKN2
SCHEMBL7976233 0.80 PRSS1 (0.52) NPY5R
SCHEMBL7970001 0.78 GFER (0.56) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7962507 0.76 NPY5R (0.60) NPY5RMEN1KMT2A
SCHEMBL7969172 0.76 NPC1 (0.53) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7973223 0.76 NPY5R (0.62) NPY5R
SCHEMBL14473810 0.74 PKN1 (0.62) NPY5RSIRT2SIRT1PKN1PKN2
SCHEMBL10140665 0.74 MEN1 (0.45) NPY5RKDM4EMEN1MAPTKMT2A
SCHEMBL7962503 0.73 NPY5R (0.52) NPY5RPKN1PKN2MEN1KMT2A
SCHEMBL8283877 0.73 PKN1 (0.64) SIRT2SIRT1PKN1PKN2SIRT3

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
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 652/4885SIRT2 988/4885SIRT1 643/4885

“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.