SCHEMBL6683316

SCHEMBL6683316

Cc1c2n(c(=O)n(Cc3ccc(C#N)cc3)c1=O)C=C(C(=O)NCc1ccc(F)cc1)NC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
PRKAA2 P54646 4/20 0.39
CXCR3 P49682 2/20 0.38
RIPK3 Q9Y572 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL6679307 0.86 TRPA1 (0.43) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL6682735 0.85 KDM4E (0.38) RIPK3HSD17B10HTTALDH1A1MITF
SCHEMBL6684363 0.83 TRPA1 (0.46) TRPA1KLKB1KLK1PRKAA2CXCR3
SCHEMBL6679412 0.83 TRPA1 (0.44) TRPA1KLKB1KLK1PRKAA2CXCR3
SCHEMBL6678339 0.75 MAPT (0.51) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL5957526 0.73 TRPA1 (0.80) TRPA1KLKB1KLK1PRKAA2HSD17B10
SCHEMBL6684992 0.71 TRPA1 (0.39) TRPA1HSD17B10MEN1KMT2AHTT
SCHEMBL6679886 0.71 KDM4E (0.38) RIPK3HSD17B10HTTALDH1A1MITF
SCHEMBL6682041 0.71 MAPK14 (0.39) RIPK3HSD17B10HTTALDH1A1MITF
SCHEMBL6680959 0.71 ALDH1A1 (0.38) HTTALDH1A1RAB9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US claimed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX 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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 TRPA1 4681/4885KLKB1 3168/4885KLK1 2298/4885

“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.