SCHEMBL5650032

SCHEMBL5650032

Cc1ccc(CN)c(CNC(=O)Cc2c(C)ccn(NCc3c(C)nn(C)c3N3CCOCC3)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.44
P2RX7 Q99572 9/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5651281 0.93 P2RX7 (0.42) F2P2RX7
SCHEMBL5649120 0.84 F2 (0.48) F2P2RX7
SCHEMBL5653285 0.84 KLKB1 (0.43) F2
SCHEMBL5651637 0.80 F2 (0.46) F2P2RX7KMT2AMEN1MAPK1
SCHEMBL5648845 0.79 P2RX7 (0.59) F2P2RX7
SCHEMBL5646797 0.78 P2RX7 (0.45) F2P2RX7
SCHEMBL5650713 0.78 F2 (0.49) F2P2RX7
SCHEMBL5651368 0.77 P2RX7 (0.40) F2P2RX7KMT2A
SCHEMBL5646352 0.77 SCN10A (0.46) F2P2RX7
SCHEMBL5649545 0.76 F2 (0.48) F2P2RX7MAPK1LMNA

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 F2 2/4885P2RX7 2777/4885KMT2A 2105/4885

“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.