SCHEMBL6790883

SCHEMBL6790883

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)SC(C(=O)OCc1ccc(F)cc1)=CN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
PKM P14618 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RGS4 P49798 1/20 0.33
RGS8 P57771 1/20 0.33
KMT2A Q03164 1/20 0.32
BRD4 O60885 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
SCHEMBL6678562 0.89 L3MBTL1 (0.42) TP53LMNAPKMALDH1A1TSHR
SCHEMBL6681822 0.86 KDM4E (0.40) LMNAPKMMAPTALDH1A1TSHR
SCHEMBL6680501 0.85 PTGS1 (0.34) ADORA2AADORA2BADORA1PKMALDH1A1
SCHEMBL6679503 0.85 TRPA1 (0.42) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL7116975 0.80 TP53 (0.35) TP53THRBLMNAADORA2AADORA2B
SCHEMBL6683259 0.79 ALDH1A1 (0.35) TP53THRBADORA2AADORA2BADORA1
SCHEMBL6684265 0.77 MMP1 (0.43) TP53THRBLMNAADORA2AADORA2B
SCHEMBL6678802 0.75 CMA1 (0.31) PKM
SCHEMBL6791261 0.74 TRPA1 (0.54) LMNAMAPTALDH1A1KDM4EKMT2A
SCHEMBL6678209 0.72 ALDH1A1 (0.38) LMNAALDH1A1TSHRKDM4EKMT2A

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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 TP53 2986/4885THRB 4677/4885LMNA 3842/4885

“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.