SCHEMBL10140064

SCHEMBL10140064

CN(C)C(=N)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.46
F9 P00740 4/20 0.46
F7 P08709 4/20 0.46
F11 P03951 3/20 0.46
PLAU P00749 5/20 0.44
PRSS1 P07477 5/20 0.44
F2 P00734 5/20 0.43
PLG P00747 4/20 0.43
PLAT P00750 4/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CHEK2 O96017 4/20 0.40
KLKB1 P03952 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
AURKB Q96GD4 1/20 0.38
HPN P05981 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL7973173 0.85 CHEK2 (0.49) F10F9F7F11BCHE
SCHEMBL10139851 0.84 CHEK2 (0.60) CHEK2
SCHEMBL7975138 0.82 F10 (0.50) F10F9F7F11PLAU
SCHEMBL10140068 0.81 F10 (0.41) F10F9F7F11PLAU
SCHEMBL7972895 0.79 PTGDR2 (0.51) F10F9F7F11CHEK2
SCHEMBL10140444 0.79 KDM4E (0.39) F10F9F7F11PLAU
SCHEMBL7972587 0.77 CHEK2 (0.59) CHEK2
SCHEMBL16258936 0.75 F10 (0.76) F10F9F7F11PLAU
SCHEMBL10139853 0.72 PTGDR2 (0.53) F10F9F7F11CHEK2
SCHEMBL10140359 0.72 PTGDR2 (0.39) F10F9F7F11BCHE

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 4 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

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 F10 11/4885F9 1/4885F7 8/4885

“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.