SCHEMBL5646352

SCHEMBL5646352

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.46
SCN2A Q99250 1/20 0.46
F2 P00734 13/20 0.44
CYP3A4 P08684 1/20 0.44
MC4R P32245 4/20 0.40
PRSS1 P07477 2/20 0.39
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
PRSS3 P35030 1/20 0.37
P2RX7 Q99572 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
SCHEMBL5651368 0.91 P2RX7 (0.40) SCN10ASCN2AF2P2RX7
SCHEMBL5649545 0.88 F2 (0.48) SCN10ASCN2AF2CYP3A4PRSS1
SCHEMBL5647344 0.87 F2 (0.45) SCN10ASCN2AF2CYP3A4PRSS1
SCHEMBL5647216 0.85 F2 (0.42) SCN10ASCN2AF2PRSS1PRSS2
SCHEMBL5651281 0.84 P2RX7 (0.42) F2CYP3A4PRSS1F9F10
SCHEMBL5647797 0.83 F2 (0.45) F2CYP3A4PRSS1P2RX7
SCHEMBL5647173 0.83 KLKB1 (0.43) SCN10ASCN2AF2PRSS1
SCHEMBL5968590 0.82 SCN10A (0.42) SCN10ASCN2AF2P2RX7
Acetic Acid SCHEMBL5648247 0.81 F2 (0.45) F2CYP3A4PRSS1P2RX7
SCHEMBL5649670 0.80 P2RX7 (0.48) F2CYP3A4PRSS1P2RX7

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 1 patent. 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

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 SCN10A 4016/4885SCN2A 4150/4885F2 2/4885

“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.