SCHEMBL7032482

SCHEMBL7032482

COc1cccc(CNC(=O)c2cc3c(=O)n(C(C)c4ccc(CC(=O)O)cc4)c(=O)[nH]c3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.49
MAPKAPK2 P49137 2/20 0.49
ROCK2 O75116 2/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
RET P07949 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6234111 0.91 ROCK2 (0.49) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6232963 0.90 ROCK2 (0.47) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6234001 0.88 PPARA (0.49) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6430121 0.87 ROCK2 (0.46) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6232234 0.86 ROCK2 (0.46) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6430372 0.86 ROCK2 (0.44) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6273024 0.85 ROCK2 (0.45) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6236905 0.85 ROCK2 (0.43) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6234891 0.84 ROCK2 (0.42) KDRMAPKAPK2ROCK2PLK4CHEK1
SCHEMBL6232987 0.84 MAPT (0.48) KDRMAPKAPK2MAPTMMP13RAB9A

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 KDR 2375/4885MAPKAPK2 3799/4885ROCK2 1459/4885

“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.