SCHEMBL7976378

SCHEMBL7976378

COc1ccccc1-c1nn(C)c(-c2nc3ccc(C(N)=O)cc3[nH]2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.56
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
PRSS1 P07477 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL10140874 0.91 CHEK2 (0.52) CHEK2
SCHEMBL10172745 0.91 PDE4A (0.50) CHEK2F2F10PLGPLAU
SCHEMBL10172740 0.91 HDAC6 (0.50) CHEK2F2F10PLGPLAU
SCHEMBL7966206 0.87 CHEK2 (0.61) CHEK2
SCHEMBL10140879 0.83 POLB (0.48) CHEK2HDAC6
SCHEMBL10140880 0.83 CYP3A4 (0.43) CHEK2F2F10PLGPLAU
SCHEMBL10140770 0.81 CHEK2 (0.51) CHEK2HDAC6
SCHEMBL7960513 0.81 CHEK2 (0.51) CHEK2
SCHEMBL7974182 0.81 CHEK2 (0.55) CHEK2
SCHEMBL7970185 0.80 CHEK2 (0.53) 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-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-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 4794/4885F2 12/4885F10 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.