SCHEMBL5647948

SCHEMBL5647948

Cc1cc(N)nc(C)c1CNC(=O)Cc1c(C)ccn(NCC2CCCC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.48
F2 P00734 9/20 0.43
PRSS1 P07477 3/20 0.40

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
SCHEMBL5647163 0.99 KLKB1 (0.49) KLKB1F2PRSS1
SCHEMBL5647382 0.88 F2 (0.50) F2PRSS1
SCHEMBL5649821 0.87 F2 (0.49) F2PRSS1
SCHEMBL5648997 0.83 F2 (0.44) KLKB1F2PRSS1
SCHEMBL5648801 0.83 F2 (0.40) KLKB1F2PRSS1
SCHEMBL5648796 0.83 F2 (0.40) KLKB1F2PRSS1
SCHEMBL5648786 0.83 F2 (0.40) KLKB1F2PRSS1
SCHEMBL5651184 0.83 F2 (0.45) KLKB1F2PRSS1
SCHEMBL5646766 0.83 F2 (0.55) KLKB1F2PRSS1
SCHEMBL5652895 0.81 F2 (0.63) KLKB1F2PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT KLKB1 113/4885F2 2/4885PRSS1 20/4885

“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.