SCHEMBL5649055

SCHEMBL5649055

Cc1ccn(NCc2ccc(C#N)cc2)c(=O)c1C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
ACE P12821 1/20 0.37
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP19A1 P11511 1/20 0.35
VNN1 O95497 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
NR3C2 P08235 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
HIF1A Q16665 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL5649734 0.86 F2 (0.41) SLC1A2MAPTL3MBTL1F2IDH1
SCHEMBL5648141 0.83 CACNA1H (0.36) VNN1
SCHEMBL5647632 0.77 PTGS2 (0.34) MAPTF2
SCHEMBL5649983 0.75 IDH1 (0.46) MAPTHIF1AIDH1
SCHEMBL5650300 0.72
SCHEMBL5652279 0.72 MAPK14 (0.43) BACE1OPRK1
SCHEMBL5651456 0.70 LIPE (0.38) EPHX2KDM4EOPRK1
SCHEMBL5650272 0.70 RAPGEF4 (0.39) KLKB1GAAF2OPRK1
SCHEMBL5650072 0.70 MTNR1B (0.41)
SCHEMBL5649964 0.69 HDAC3 (0.44) KDM4EMAPTF2HIF1A

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 LOXL2 391/4885ACE 147/4885KLKB1 113/4885

“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.