SCHEMBL5651604

SCHEMBL5651604

Cc1cc(N)nc(C)c1CNC(=O)Cc1c(C)ccn(NCc2cccc3cccnc23)c1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.43
F2 P00734 7/20 0.43
MAP4K1 Q92918 1/20 0.41
PRSS1 P07477 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL5648186 0.85 KLKB1 (0.45) KLKB1F2MAP4K1PRSS1
SCHEMBL5647173 0.84 KLKB1 (0.43) KLKB1F2MAP4K1PRSS1
SCHEMBL5651601 0.84 F2 (0.47) F2ADORA2AADORA1
SCHEMBL5646766 0.83 F2 (0.55) KLKB1F2PRSS1
SCHEMBL5652414 0.82 KLKB1 (0.53) KLKB1F2PRSS1
SCHEMBL5647797 0.82 F2 (0.45) F2PRSS1ADORA2AADORA1
SCHEMBL5645712 0.81 F2 (0.41) KLKB1F2MAP4K1PRSS1
SCHEMBL5969242 0.81 SLC22A12 (0.45) F2ADORA2AADORA1
SCHEMBL5647880 0.81 KLKB1 (0.49) KLKB1F2PRSS1
SCHEMBL5650326 0.81 F2 (0.41) 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 4 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
CN-1918124-A New pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-02-21 CN 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 2/4885MAP4K1 1248/4885

“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.