SCHEMBL7970846

SCHEMBL7970846

Cn1nc(-c2ccc3ccccc3c2)c(O)c1-c1nc2ccc(CN)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.40
NPBWR1 P48145 1/20 0.40
SLC2A1 P11166 1/20 0.39
NT5E P21589 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.39
GSK3B P49841 1/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL10139913 0.90 F9 (0.43) CHEK2PTGDR2NPBWR1NT5EMEN1
SCHEMBL7970550 0.88 F9 (0.46) CHEK2PTGDR2NPBWR1SLC2A1NT5E
SCHEMBL7969006 0.87 NPBWR1 (0.42) CHEK2PTGDR2NPBWR1SLC2A1NT5E
SCHEMBL7971481 0.86 HIF1A (0.46) CHEK2PTGDR2NPBWR1NT5EMEN1
SCHEMBL7969075 0.86 PTGDR2 (0.44) CHEK2PTGDR2NPBWR1SLC2A1NT5E
SCHEMBL7959240 0.85 NPC1 (0.44) CHEK2NPBWR1SLC2A1NT5ENPC1
SCHEMBL7972964 0.84 F2 (0.44) PTGDR2NPBWR1NPC1RAB9ASMN1; SMN2
SCHEMBL10140025 0.83 MAPT (0.45) NPBWR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL7969264 0.82 MPL (0.46) CHEK2PTGDR2NPBWR1NT5EGSK3B
SCHEMBL16258935 0.82 CBFB (0.43) PTGDR2NPBWR1NT5EGSK3B

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 CHEK2 4794/4885PTGDR2 3200/4885NPBWR1 3598/4885

“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.