SCHEMBL7972811

SCHEMBL7972811

N=C(N)c1ccc2[nH]c(-c3c(O)c(-c4ccc(Cl)cc4)nn3CC(F)(F)F)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.42
F9 P00740 3/20 0.42
F11 P03951 3/20 0.42
F7 P08709 6/20 0.41
KLKB1 P03952 1/20 0.41
PLAU P00749 6/20 0.41
F2 P00734 5/20 0.41
PLG P00747 5/20 0.41
PRSS1 P07477 5/20 0.41
PLAT P00750 3/20 0.41
HPN P05981 1/20 0.39
F3 P13726 1/20 0.39
CHEK2 O96017 1/20 0.37

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
SCHEMBL7971680 0.92 F10 (0.52) F10F9F11F7KLKB1
SCHEMBL10140119 0.91 F10 (0.42) F10F9F11F7PLAU
SCHEMBL7972249 0.89 CHEK2 (0.38) F10F9F11F7KLKB1
SCHEMBL7971682 0.89 F10 (0.46) F10F9F11F7KLKB1
SCHEMBL10139884 0.85 F10 (0.48) F10F9F11F7KLKB1
SCHEMBL7970520 0.83 SIRT2 (0.42) CHEK2
SCHEMBL10140117 0.81 F10 (0.54) F10F9F11F7KLKB1
SCHEMBL10140118 0.81 F10 (0.42) F10F9F11F7KLKB1
SCHEMBL7960687 0.80 F10 (0.46) F10F9F11F7PLAU
SCHEMBL7982567 0.77 F10 (0.58) F10F9F11F7KLKB1

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 F10 11/4885F9 1/4885F11 4/4885

“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.