SCHEMBL10140118

SCHEMBL10140118

Cc1ccc(-c2nn(CC(F)(F)F)c(-c3nc4cc(/C(N)=N/O)ccc4[nH]3)c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
F9 P00740 1/20 0.42
F11 P03951 1/20 0.42
CHEK2 O96017 6/20 0.39
NPBWR1 P48145 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALOX5 P09917 1/20 0.34
KLKB1 P03952 1/20 0.34
F7 P08709 1/20 0.34
F2 P00734 2/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
PRSS1 P07477 2/20 0.34
PLAT P00750 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7972249 0.92 CHEK2 (0.38) F10F9F11CHEK2CA12
SCHEMBL7971680 0.89 F10 (0.52) F10F9F11CHEK2KLKB1
SCHEMBL10140107 0.83 NPBWR1 (0.39) F10F9F11CHEK2NPBWR1
SCHEMBL7972811 0.81 F10 (0.42) F10F9F11CHEK2KLKB1
SCHEMBL10140119 0.81 F10 (0.42) F10F9F11F7F2
SCHEMBL10140104 0.81 NPBWR1 (0.36) F10F9F11CHEK2NPBWR1
SCHEMBL7961129 0.81 PTGDR2 (0.40) F10F9F11CHEK2NPBWR1
SCHEMBL7970520 0.81 SIRT2 (0.42) CHEK2CSNK1DCSNK1E
SCHEMBL10140117 0.81 F10 (0.54) F10F9F11CHEK2KLKB1
SCHEMBL10029168 0.78 CHEK2 (0.61) F10F9F11CHEK2NPBWR1

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-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

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.