SCHEMBL7959433

SCHEMBL7959433

Oc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)n[nH]c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 8/20 0.55
CBFB Q13951 3/20 0.54
TRPV1 Q8NER1 1/20 0.51
F9 P00740 1/20 0.51
F10 P00742 1/20 0.51
F11 P03951 1/20 0.51
F7 P08709 1/20 0.51
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 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
SCHEMBL7961534 0.84 NPBWR1 (0.65) CBFBF9F10F11F7
SCHEMBL10139790 0.82 F9 (0.56) CBFBF9F10F11F7
SCHEMBL7975272 0.82 ITK (0.63) CBFBF9F10F11F7
SCHEMBL11903481 0.81 TRPV1 (0.72) RUNX1CBFBTRPV1KDM4EALDH1A1
SCHEMBL10172578 0.80 F9 (0.56) F9F10F11F7KDM4E
SCHEMBL10139794 0.80 F9 (0.56) CBFBF9F10F11F7
SCHEMBL7975946 0.79 KDM4E (0.68) F9F10F11F7KDM4E
SCHEMBL7976096 0.77 CHEK2 (0.54) F9F10F11F7KDM4E
SCHEMBL10139787 0.77 KDM4E (0.58) F9F10F11F7KDM4E
SCHEMBL7973109 0.76 F10 (0.52) F9F10F11F7KDM4E

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 RUNX1 180/4885CBFB 627/4885TRPV1 4574/4885

“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.