SCHEMBL5651876

SCHEMBL5651876

CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cc1c(C)ccn(NCc2c(-c3ccccc3)nn(C)c2Cl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.47
PRSS1 P07477 6/20 0.47
PRSS2 P07478 6/20 0.47
PRSS3 P35030 6/20 0.47
P2RX7 Q99572 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
ANO2 Q9NQ90 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 2/20 0.37
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL5650866 0.91 F2 (0.51) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5649805 0.88 F2 (0.47) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5651509 0.86 F2 (0.54) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5651527 0.86 F2 (0.46) F2PRSS1P2RX7CYP1A2CYP2C9
SCHEMBL5649573 0.85 F2 (0.47) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5652206 0.84 F2 (0.48) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5650277 0.84 F2 (0.51) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5654097 0.83 F2 (0.60) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5652203 0.83 F2 (0.52) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL5650131 0.82 F2 (0.52) F2PRSS1PRSS2PRSS3P2RX7

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 2/4885PRSS1 20/4885PRSS2 17/4885

“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.