SCHEMBL6743591

SCHEMBL6743591

COc1cccc(CNC(=O)c2cnc3c(c2)SC(Cc2ccccc2)C(=O)N3C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.49
PRKX P51817 2/20 0.49
PRKCQ Q04759 2/20 0.49
ROCK1 Q13464 2/20 0.49
GRK5 P34947 1/20 0.49
MMP13 P45452 2/20 0.48
HPGDS O60760 1/20 0.48
CXCR3 P49682 1/20 0.47
KLKB1 P03952 1/20 0.46
ROCK2 O75116 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6750671 0.85 THRB (0.45) CYP2C9KDM4EMAOAALDH1A1MAPT
SCHEMBL7134254 0.71 MMP13 (0.86) PRKACAPRKXPRKCQROCK1MMP13
SCHEMBL9416645 0.70 MMP13 (0.94) PRKACAPRKXPRKCQROCK1GRK5
SCHEMBL8345252 0.70 SMN1; SMN2 (0.52) MMP13LMNAALDH1A1MAPTMAPK1
SCHEMBL2922655 0.69 MMP13 (0.81) MMP13LMNAHPGDAURKAALDH1A1
SCHEMBL13450237 0.68 MMP13 (0.67) PRKACAPRKXPRKCQROCK1GRK5
SCHEMBL3402865 0.68 MMP13 (0.67) PRKACAPRKXPRKCQROCK1GRK5
SCHEMBL31061610 0.68 MMP13 (1.00) PRKACAPRKXPRKCQROCK1GRK5
SCHEMBL5332068 0.68 MMP13 (1.00) PRKACAPRKXPRKCQROCK1GRK5
SCHEMBL6919620 0.68 MAPT (0.43) CYP3A4CYP2D6CYP2C9LMNAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2004-03-04 US claimed
US-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2004-03-04 US disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 PRKACA 2391/4885PRKX 2431/4885PRKCQ 905/4885

“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.