SCHEMBL7969006

SCHEMBL7969006

Cn1nc(-c2ccc(CO)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.42
CBFB Q13951 5/20 0.41
NT5E P21589 1/20 0.41
GSK3B P49841 1/20 0.39
SLC2A1 P11166 1/20 0.39
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
F11 P03951 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.38
CHEK2 O96017 3/20 0.37

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 0.93 F9 (0.46) NPBWR1NT5EGSK3BSLC2A1F9
SCHEMBL10172732 0.92 MAP2K4 (0.38) NPBWR1CBFBF9F10F11
SCHEMBL7971481 0.91 HIF1A (0.46) NPBWR1NT5EPTGDR2CHEK2
SCHEMBL7969075 0.91 PTGDR2 (0.44) NPBWR1NT5EGSK3BSLC2A1F9
SCHEMBL10139913 0.90 F9 (0.43) NPBWR1NT5EGSK3BF9F10
SCHEMBL7959240 0.90 NPC1 (0.44) NPBWR1NT5EGSK3BSLC2A1F9
SCHEMBL7969264 0.87 MPL (0.46) NPBWR1NT5EGSK3BPTGDR2CHEK2
SCHEMBL10139923 0.87 CBFB (0.50) CBFBGSK3BF9F10F11
SCHEMBL7970846 0.87 CHEK2 (0.44) NPBWR1NT5EGSK3BSLC2A1PTGDR2
SCHEMBL16258935 0.86 CBFB (0.43) NPBWR1CBFBNT5EGSK3BF9

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-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 NPBWR1 3598/4885CBFB 627/4885NT5E 2150/4885

“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.