SCHEMBL6704891

SCHEMBL6704891

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)C=C(C#CCc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
CLPP Q16740 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GPR18 Q14330 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6704264 0.93 NPSR1 (0.36) MMP13SLC22A8CLPPALDH1A1LMNA
SCHEMBL6818788 0.82 NPSR1 (0.38) MMP13SLC22A8CLPPGPR18HPGD
SCHEMBL6705127 0.78 PTGS1 (0.38) MMP13SLC22A8PTGS1PTGS2ALDH1A1
SCHEMBL6703297 0.75 MMP13 (0.42) MMP13SLC22A8GPR18HPGDALDH1A1
SCHEMBL6392558 0.74 MMP13 (0.72) MMP13SLC22A8PTGS1PTGS2
SCHEMBL6702169 0.74 MMP13 (0.41) MMP13SLC22A8GPR18ALDH1A1LMNA
SCHEMBL6701186 0.74 MMP13 (0.41) MMP13SLC22A8GPR18HPGDALDH1A1
SCHEMBL6697068 0.74 MMP13 (0.46) MMP13SLC22A8PTGS1PTGS2GPR18
SCHEMBL6843728 0.74 MMP13 (0.48) MMP13SLC22A8PTGS1PTGS2GPR18
SCHEMBL6704878 0.74 MMP13 (0.48) MMP13SLC22A8PTGS1PTGS2GPR18

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 MMP13 13/4885SLC22A8 2959/4885CLPP 3282/4885

“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.