SCHEMBL7976233

SCHEMBL7976233

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.52
PLAU P00749 4/20 0.52
F10 P00742 8/20 0.50
F2 P00734 7/20 0.50
F7 P08709 3/20 0.50
PLG P00747 3/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
PLAT P00750 2/20 0.46
HPN P05981 1/20 0.46
TPSAB1 Q15661 3/20 0.46
CHEK2 O96017 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
F9 P00740 1/20 0.45
NPY5R Q15761 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
SCHEMBL7973969 0.90 CHEK2 (0.57) CHEK2NPY5R
SCHEMBL7969172 0.80 NPC1 (0.53) NPY5R
SCHEMBL7962507 0.80 NPY5R (0.60) NPY5R
SCHEMBL7973178 0.80 NPY5R (0.56) NPY5R
SCHEMBL10140665 0.78 MEN1 (0.45) NPY5R
SCHEMBL7973223 0.77 NPY5R (0.62) NPY5R
SCHEMBL7962503 0.77 NPY5R (0.52) CHEK2NPY5R
SCHEMBL7970001 0.77 GFER (0.56) NPY5R
SCHEMBL3791087 0.73 NPC1 (0.47) NPY5R
SCHEMBL3787151 0.70 MEN1 (0.44) NPY5R

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 PRSS1 309/4885PLAU 67/4885F10 11/4885

“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.