SCHEMBL5653772

SCHEMBL5653772

COc1ccc(CN)c(CNC(=O)Cc2c(C)ccn(NCCc3ccccc3)c2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.60
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRSS1 P07477 1/20 0.44
CYP3A4 P08684 1/20 0.42
MTNR1A P48039 1/20 0.42
PTGS2 P35354 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5650002 0.89 F2 (0.64) F2PRSS1CYP3A4
Hydrochloric Acid SCHEMBL5647791 0.87 F2 (0.63) F2PRSS1CYP3A4
SCHEMBL27649111 0.85 F2 (0.45) F2KMT2ANPC1
SCHEMBL5650692 0.84 F2 (0.51) F2
SCHEMBL5646109 0.82 F2 (0.50) F2PRSS1CYP3A4
SCHEMBL5650513 0.82 F2 (0.48) F2
Hydrochloric Acid SCHEMBL5648789 0.82 F2 (0.50) F2PRSS1CYP3A4
SCHEMBL5968685 0.81 F2 (0.60) F2PRSS1CYP3A4
SCHEMBL5652019 0.81 P2RX7 (0.45) F2CYP3A4PTGS2
SCHEMBL5647375 0.80 F2 (0.54) F2CYP3A4

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 2 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
CN-1918124-A New pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-02-21 CN 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 2/4885MEN1 1252/4885KMT2A 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.