SCHEMBL6696587

SCHEMBL6696587

Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sc(C#CCc3ccc(F)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.47
PKLR P30613 4/20 0.47
MMP13 P45452 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
THRB P10828 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PARG Q86W56 1/20 0.39
TP53 P04637 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RGS4 P49798 2/20 0.38
RGS8 P57771 2/20 0.38

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
SCHEMBL6917313 0.79 MMP13 (0.50) PKMMMP13SLC22A8THRBTDP1
SCHEMBL6704876 0.76 MMP13 (0.39) PKMMMP13SLC22A8THRBTDP1
SCHEMBL7038900 0.76 MMP13 (0.56) PKMMMP13SLC22A8THRBTDP1
SCHEMBL6472619 0.76 PARG (0.41) PKMPKLRMMP13SLC22A8NPSR1
SCHEMBL6472380 0.75 MAPT (0.48) PKMMMP13SLC22A8PARGTP53
SCHEMBL6390652 0.73 MMP13 (0.78) PKMMMP13SLC22A8TDP1NPSR1
SCHEMBL6703241 0.72 TP53 (0.42) PKMTDP1NPSR1TP53ALDH1A1
SCHEMBL6471574 0.71 MAPT (0.43) MMP13SLC22A8TP53ALDH1A1MAPT
SCHEMBL6703433 0.71 TRPA1 (0.61) THRBNPSR1TP53ALDH1A1MAPT
SCHEMBL6390295 0.71 MMP13 (0.63) PKMMMP13SLC22A8PARGKDM4E

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 PKM 3908/4885PKLR 2690/4885MMP13 13/4885

“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.