SCHEMBL7969435

SCHEMBL7969435

Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.65
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
CHEK1 O14757 1/20 0.52
F9 P00740 1/20 0.52
F10 P00742 1/20 0.52
F11 P03951 1/20 0.52
F7 P08709 1/20 0.52

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
SCHEMBL10139933 0.98 CHEK2 (0.67) CHEK2
SCHEMBL10139891 0.92 CHEK2 (0.69) CHEK2PKN1PKN2F9F10
SCHEMBL7976986 0.91 CHEK2 (0.53) CHEK2F9F10F11F7
SCHEMBL10139883 0.90 CHEK2 (0.65) CHEK2
SCHEMBL7959084 0.90 CHEK2 (0.60) CHEK2PKN1PKN2
SCHEMBL7972153 0.89 CHEK2 (0.54) CHEK2PKN1PKN2
SCHEMBL10139896 0.89 CHEK2 (0.55) CHEK2
SCHEMBL10139864 0.88 CHEK2 (0.55) CHEK2
SCHEMBL7966356 0.88 CHEK2 (0.55) CHEK2
SCHEMBL10139876 0.88 HDAC6 (0.52) CHEK2F9F10F11F7

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 4794/4885PKN1 2799/4885PKN2 2028/4885

“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.