SCHEMBL6704264

SCHEMBL6704264

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)C=C(C#CCc1ccc(F)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
MMP13 P45452 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
P2RX7 Q99572 2/20 0.33
CLPP Q16740 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.33
PARG Q86W56 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6704891 0.93 MMP13 (0.42) NPSR1MMP13SLC22A8CLPPALDH1A1
SCHEMBL6818788 0.81 NPSR1 (0.38) NPSR1MMP13SLC22A8CLPPALDH1A1
SCHEMBL6705127 0.76 PTGS1 (0.38) MMP13SLC22A8ALDH1A1HTTPKM
SCHEMBL6699411 0.74 NPSR1 (0.38) NPSR1MMP13SLC22A8PCSK9ALDH1A1
SCHEMBL6390853 0.74 MMP13 (0.62) NPSR1MMP13SLC22A8TP53PARG
SCHEMBL6700993 0.74 MAPT (0.38) NPSR1PCSK9ALDH1A1HTTTP53
SCHEMBL6702588 0.73 MMP13 (0.39) NPSR1MMP13SLC22A8PCSK9ALDH1A1
SCHEMBL6704876 0.73 MMP13 (0.39) NPSR1MMP13SLC22A8ALDH1A1TP53
SCHEMBL6703241 0.72 TP53 (0.42) NPSR1PCSK9ALDH1A1HTTTP53
SCHEMBL6703297 0.68 MMP13 (0.42) NPSR1MMP13SLC22A8ALDH1A1HTT

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 1 patent. 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

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 NPSR1 3417/4885MMP13 13/4885SLC22A8 2959/4885

“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.