SCHEMBL7970001

SCHEMBL7970001

COc1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPY5R Q15761 2/20 0.52
RAB9A P51151 6/20 0.50
TP53 P04637 4/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
EGLN1 Q9GZT9 1/20 0.48
ADRA1A P35348 1/20 0.47
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL7962507 0.82 NPY5R (0.60) NPY5RRAB9ANPC1EGLN1ADRA1A
SCHEMBL7969172 0.82 NPC1 (0.53) GFERNPY5RRAB9ATP53NPC1
SCHEMBL10140665 0.80 MEN1 (0.45) NPY5RRAB9ANPC1KDM4EADRA1A
SCHEMBL7962503 0.79 NPY5R (0.52) NPY5RRAB9ANPC1ADRA1AMEN1
SCHEMBL7973223 0.79 NPY5R (0.62) NPY5REGLN1ADRA1A
SCHEMBL7973969 0.78 CHEK2 (0.57) NPY5R
SCHEMBL7973178 0.78 NPY5R (0.56) NPY5RKDM4EHSD17B10HPGDALDH1A1
SCHEMBL7976233 0.77 PRSS1 (0.52) NPY5R
SCHEMBL24846565 0.76 GFER (0.42) GFERNPSR1RAB9ATP53SMN1; SMN2
SCHEMBL5236875 0.75 GFER (0.51) GFERNPSR1NPY5RRAB9ATP53

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 GFER 730/4885NPSR1 3072/4885NPY5R 652/4885

“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.