SCHEMBL6702248

SCHEMBL6702248

O=C(O)c1ccc(CN2C=Nc3sc(C(=O)NCc4ccncc4)cc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RORC P51449 2/20 0.41
NAMPT P43490 2/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 2/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 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
SCHEMBL6700597 0.92 KDM4E (0.50) MMP13KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6817791 0.84 KDM4E (0.43) MMP13KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6700620 0.80 MMP13 (0.44) MMP13RORCNAMPTALDH1A1EPHX2
SCHEMBL6817793 0.77 SMN1; SMN2 (0.42) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL6702617 0.74 MMP13 (0.41) MMP13NAMPTALDH1A1ROCK2RPS6KA5
SCHEMBL6699803 0.73 PTGER4 (0.48) MMP13ALDH1A1EPHX2ROCK2RPS6KA5
SCHEMBL6698728 0.72 PTGER4 (0.47) MMP13SMN1; SMN2ALDH1A1EPHX2PTGER4
SCHEMBL6288901 0.72 MMP13 (0.43) MMP13KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6700558 0.70 ALDH1A1 (0.36) MMP13ALDH1A1PTGER4
SCHEMBL6819967 0.70 MMP13 (0.39) MMP13NAMPTALDH1A1ROCK2RPS6KA5

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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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 MMP13 13/4885KDM4E 1991/4885MEN1 4003/4885

“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.