SCHEMBL10140107

SCHEMBL10140107

Cc1ccc(-c2nn(CC(F)(F)F)c(-c3nc4cc(CN)ccc4[nH]3)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.39
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
F9 P00740 2/20 0.36
F11 P03951 2/20 0.36
F10 P00742 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.34
F7 P08709 1/20 0.34
CYP2C9 P11712 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CHEK2 O96017 1/20 0.33
SMPD3 Q9NY59 1/20 0.33

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
SCHEMBL10172731 0.86 CA12 (0.40) NPBWR1CA12CA9F9F11
SCHEMBL7971680 0.85 F10 (0.52) F9F11F10F7CHEK2
SCHEMBL7961129 0.84 PTGDR2 (0.40) NPBWR1CA12CA9F9F11
SCHEMBL10140104 0.84 NPBWR1 (0.36) NPBWR1CA12CA9F9F11
SCHEMBL10140118 0.83 F10 (0.42) NPBWR1CA12CA9F9F11
SCHEMBL7973901 0.79 NT5E (0.41) NPBWR1PTGDR2
SCHEMBL10172732 0.79 MAP2K4 (0.38) NPBWR1CA12CA9F9F11
SCHEMBL7970550 0.78 F9 (0.46) NPBWR1CA12CA9F9F11
SCHEMBL10140020 0.77 HIF1A (0.48) NPBWR1CA12CA9F9F11
SCHEMBL10140015 0.77 F9 (0.41) NPBWR1F9F11F10HIF1A

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 5 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

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 NPBWR1 3598/4885CA12 1599/4885CA9 332/4885

“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.