SCHEMBL5651368

SCHEMBL5651368

Cc1ccn(NCc2cccnc2N2CCOCC2)c(=O)c1CC(=O)NCc1cc(F)ccc1CN

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.40
F2 P00734 5/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
SCN2A Q99250 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CARM1 Q86X55 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5646352 0.91 SCN10A (0.46) P2RX7F2SCN10ASCN2A
SCHEMBL5647216 0.85 F2 (0.42) F2SCN10ASCN2A
SCHEMBL5647173 0.83 KLKB1 (0.43) F2SCN10ASCN2A
SCHEMBL5968590 0.82 SCN10A (0.42) P2RX7F2SCN10ASCN2AKMT2A
SCHEMBL5648618 0.79 P2RX7 (0.50) P2RX7F2
SCHEMBL5649545 0.79 F2 (0.48) P2RX7F2SCN10ASCN2A
SCHEMBL5647344 0.79 F2 (0.45) P2RX7F2SCN10ASCN2AKMT2A
SCHEMBL5647375 0.79 F2 (0.54) P2RX7F2
SCHEMBL5651838 0.79 P2RX7 (0.51) P2RX7F2
SCHEMBL5647756 0.79 F2 (0.43) P2RX7F2

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 P2RX7 2777/4885F2 2/4885SCN10A 4016/4885

“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.