SCHEMBL7973202

SCHEMBL7973202

Cc1ccc(-c2c(O)c(-c3nc4cc5c(cc4[nH]3)CNC5)nn2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
F11 P03951 1/20 0.39
CHEK2 O96017 2/20 0.37
NPBWR1 P48145 2/20 0.36
ATR Q13535 3/20 0.35
TOP1 P11387 2/20 0.35
TOP2A P11388 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 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
SCHEMBL7970581 0.92 F9 (0.40) F9F10F11CHEK2NPBWR1
SCHEMBL7973155 0.91 F9 (0.39) F9F10F11CHEK2NPBWR1
SCHEMBL20307854 0.85 CA12 (0.39) F9F10F11CHEK2NPBWR1
SCHEMBL7970587 0.85 TOP1 (0.34) F9F10F11CHEK2ATR
SCHEMBL7972135 0.84 PDE10A (0.37) F9F10F11CHEK2SMN1; SMN2
SCHEMBL7965824 0.84 SIRT2 (0.37) F9F10F11CHEK2TOP1
SCHEMBL7971018 0.83 HSD17B10 (0.37) F9F10F11ALDH1A1SMN1; SMN2
SCHEMBL7960814 0.83 NPC1 (0.39) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
SCHEMBL7971397 0.83 ALDH1A1 (0.39) F9F10F11NPBWR1TOP1
SCHEMBL7970061 0.83 GUSB (0.39) CHEK2TOP1TOP2AALDH1A1SMN1; SMN2

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 F9 1/4885F10 11/4885F11 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.