SCHEMBL6700586

SCHEMBL6700586

O=C(O)c1ccc(CN2C=Nc3[nH]c(C(=O)NCc4ccccc4)nc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.46
NR1H4 Q96RI1 2/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MMP13 P45452 2/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6699557 0.90 TP53 (0.47) PTGER4ALDH1A1CNR2MEN1KMT2A
SCHEMBL6818624 0.85 MMP13 (0.43) PTGER4MMP13
SCHEMBL6699803 0.78 PTGER4 (0.48) PTGER4NR1H4EPHX2ALDH1A1MMP13
SCHEMBL6703233 0.77 MMP13 (0.39) PTGER4ALDH1A1MMP13MEN1KMT2A
SCHEMBL6702349 0.76 CLPP (0.35) ALDH1A1
SCHEMBL6698728 0.73 PTGER4 (0.47) PTGER4NR1H4EPHX2ALDH1A1MMP13
SCHEMBL6700597 0.72 KDM4E (0.50) PTGER4NR1H4EPHX2ALDH1A1MMP13
SCHEMBL6818720 0.72 PTGER4 (0.50) PTGER4MMP13
SCHEMBL6702617 0.71 MMP13 (0.41) PTGER4ALDH1A1MMP13
SCHEMBL6704350 0.69 MMP13 (0.58) PTGER4MMP13CNR2

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 PTGER4 1609/4885NR1H4 2045/4885EPHX2 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.