SCHEMBL6703241

SCHEMBL6703241

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2sc(C#CCc3ccc(F)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
PCSK9 Q8NBP7 2/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.40
PKM P14618 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GPR18 Q14330 1/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6700993 0.85 MAPT (0.38) TP53NPSR1SMN1; SMN2HTTLMNA
SCHEMBL6704876 0.80 MMP13 (0.39) TP53NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL6702169 0.78 MMP13 (0.41) TP53NPSR1SMN1; SMN2HTTLMNA
SCHEMBL6699400 0.77 PTGS1 (0.40) NPSR1SMN1; SMN2PCSK9GPR18GRIN1
SCHEMBL6699411 0.76 NPSR1 (0.38) TP53NPSR1SMN1; SMN2HTTLMNA
SCHEMBL6390853 0.75 MMP13 (0.62) TP53NPSR1GRIN1GRIN2B
SCHEMBL6702588 0.74 MMP13 (0.39) TP53NPSR1SMN1; SMN2HTTLMNA
SCHEMBL6681942 0.74 MMP13 (0.46) TP53NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL6700340 0.73 MMP13 (0.44) NPSR1SMN1; SMN2HTTLMNAMAPT
SCHEMBL6696587 0.72 PKM (0.47) TP53NPSR1MAPTPKMALDH1A1

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 TP53 452/4885NPSR1 3417/4885SMN1; SMN2 3684/4885

“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.