SCHEMBL10139846

SCHEMBL10139846

COc1ccc(Cn2nc(-c3ccccc3)c(O)c2-c2nc3cc(C(N)=O)ccc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.44
COMT P21964 1/20 0.43

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
SCHEMBL7972587 0.84 CHEK2 (0.59) CHEK2
SCHEMBL10139851 0.78 CHEK2 (0.60) CHEK2
SCHEMBL10172723 0.76 CHEK2 (0.46) CHEK2
SCHEMBL10172658 0.76 CHEK2 (0.46) CHEK2
SCHEMBL20307794 0.76 CHEK2 (0.44) CHEK2
SCHEMBL10139890 0.75 CHEK2 (0.53) CHEK2
SCHEMBL7961557 0.75 PTGDR2 (0.49) PTGDR2
SCHEMBL10172539 0.75 CHEK2 (0.45) CHEK2
SCHEMBL10172733 0.75 CHEK2 (0.44) CHEK2
SCHEMBL7975950 0.75 CHEK2 (0.50) CHEK2

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 5 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

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 3200/4885COMT 4549/4885

“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.