SCHEMBL6700993

SCHEMBL6700993

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C#CCc3ccc(F)cc3)sc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HTT P42858 4/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 3/20 0.38
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GPR18 Q14330 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
GFER P55789 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL6702169 0.93 MMP13 (0.41) MAPTHTTKMT2AALDH1A1TSHR
SCHEMBL6703241 0.85 TP53 (0.42) MAPTHTTKMT2AALDH1A1TSHR
SCHEMBL6704876 0.82 MMP13 (0.39) MAPTKMT2AALDH1A1PKMTP53
SCHEMBL6699411 0.80 NPSR1 (0.38) MAPTHTTKMT2AALDH1A1TSHR
SCHEMBL6700331 0.77 TRPC5 (0.38) KMT2APKMMEN1TP53SMN1; SMN2
SCHEMBL6681942 0.76 MMP13 (0.46) MAPTALDH1A1PKMTP53NPSR1
SCHEMBL6702588 0.74 MMP13 (0.39) MAPTHTTKMT2AALDH1A1TSHR
SCHEMBL6704264 0.74 NPSR1 (0.36) HTTKMT2AALDH1A1TSHRPKM
SCHEMBL6697974 0.74 MAPT (0.40) MAPTKMT2AALDH1A1TSHRMAPK1
SCHEMBL6390853 0.73 MMP13 (0.62) TP53NPSR1

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 MAPT 4548/4885HTT 4755/4885KMT2A 2485/4885

“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.