SCHEMBL5650083

SCHEMBL5650083

CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cc1c(C)ccn(NCc2ccc(C#N)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.48
PRSS1 P07477 7/20 0.48
PRSS2 P07478 7/20 0.48
PRSS3 P35030 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AKR1B1 P15121 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5651509 0.90 F2 (0.54) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL5650956 0.90 F2 (0.46) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL5650131 0.86 F2 (0.52) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL5652015 0.85 F2 (0.48) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL5652489 0.84 F2 (0.52) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL5650742 0.84 F2 (0.51) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL5650399 0.84 F2 (0.49) F2PRSS1CYP3A4
SCHEMBL5654097 0.84 F2 (0.60) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL5651304 0.84 F2 (0.50) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL5648356 0.84 F2 (0.51) F2PRSS1PRSS2PRSS3SMN1; SMN2

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 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.