SCHEMBL7962282

SCHEMBL7962282

Cc1ccc(-c2nn(C)c(-c3nc4cc(F)c(CN)cc4[nH]3)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.41
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
CHEK2 O96017 2/20 0.38
NPBWR1 P48145 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7970550 0.83 F9 (0.46) PTGDR2F9F10F11CHEK2
SCHEMBL10172731 0.83 CA12 (0.40) PTGDR2F9F10F11CHEK2
SCHEMBL7971071 0.82 F9 (0.40) PTGDR2F9F10F11CHEK2
SCHEMBL16258970 0.81 F9 (0.48) PTGDR2F9F10F11CHEK2
SCHEMBL10140103 0.80 F9 (0.39) PTGDR2F9F10F11CA12
SCHEMBL7970581 0.78 F9 (0.40) F9F10F11CHEK2NPBWR1
SCHEMBL7973155 0.77 F9 (0.39) F9F10F11CHEK2NPBWR1
SCHEMBL10172732 0.76 MAP2K4 (0.38) PTGDR2F9F10F11NPBWR1
SCHEMBL7969006 0.76 NPBWR1 (0.42) PTGDR2F9F10F11CHEK2
SCHEMBL7973901 0.76 NT5E (0.41) PTGDR2NPBWR1KDM4EALDH1A1CYP3A4

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 PTGDR2 3200/4885F9 1/4885F10 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.