SCHEMBL6700620

SCHEMBL6700620

O=C(O)c1ccc(CN2C=Nc3oc(C(=O)NCc4ccncc4)cc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 2/20 0.42
NAMPT P43490 2/20 0.42
ROCK2 O75116 2/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCG P05129 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG2 Q13237 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL6698728 0.92 PTGER4 (0.47) MMP13ALDH1A1EPHX2PTGER4
SCHEMBL6817791 0.83 KDM4E (0.43) MMP13ALDH1A1RORCEPHX2PTGER4
SCHEMBL6702617 0.82 MMP13 (0.41) MMP13ALDH1A1HSD17B10NAMPTROCK2
SCHEMBL6702248 0.80 MMP13 (0.43) MMP13ALDH1A1RORCNAMPTROCK2
SCHEMBL6819967 0.78 MMP13 (0.39) MMP13ALDH1A1HSD17B10NAMPTROCK2
SCHEMBL6819953 0.78 MMP13 (0.38) MMP13ALDH1A1HSD17B10RORCNAMPT
SCHEMBL6817793 0.76 SMN1; SMN2 (0.42) ALDH1A1MAP4K4RPS6KB1MAPK1AKT1
SCHEMBL6819957 0.76 NPC1 (0.46) MMP13ALDH1A1HSD17B10RORCNAMPT
SCHEMBL6702239 0.73 MMP13 (0.41) MMP13ALDH1A1PTGER4
SCHEMBL6704242 0.72 PTGER4 (0.36) MMP13ALDH1A1PTGER4

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 13/4885ALDH1A1 221/4885HSD17B10 1162/4885

“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.