SCHEMBL6683369

SCHEMBL6683369

CN1CC(C(=O)NCc2ccc(F)cc2)=Cc2c1[nH]c(=O)n(Cc1ccc(C#N)cc1)c2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
PRKAA2 P54646 4/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CXCR3 P49682 2/20 0.38
USP1 O94782 1/20 0.38
LIPG Q9Y5X9 2/20 0.38
HTR3A P46098 2/20 0.38
CACNA1G O43497 1/20 0.38
TRPA1 O75762 1/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL6664325 0.90 TRPA1 (0.46) POLBRXFP1USP1LIPGHTR3A
SCHEMBL6678658 0.84 KDM4E (0.39) RXFP1KDM4ELMNAHTT
SCHEMBL7114939 0.83 PRKAA2 (0.39) KLKB1KLK1PRKAA2POLBRXFP1
SCHEMBL7126749 0.77 TRPA1 (0.42) KLKB1KLK1PRKAA2RXFP1CXCR3
SCHEMBL6664764 0.75 MAPT (0.48) RXFP1HTR3AKDM4E
SCHEMBL6679671 0.74 MMP1 (0.40) RXFP1KDM4ELMNAHTT
SCHEMBL7117071 0.72 CNR2 (0.45) PRKAA2USP1TRPA1CNR2EPHX2
SCHEMBL6678347 0.72 ALDH1A1 (0.43) LIPGKDM4ELMNA
SCHEMBL6679546 0.69 TRPA1 (0.43) KLKB1KLK1PRKAA2CXCR3TRPA1
SCHEMBL6677757 0.69 ABCB1 (0.37) POLBRXFP1KDM4ELMNA

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 4 patents. 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 claimed
WO-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US disclosed
WO-2004014921-A1 5,6-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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 KLKB1 3434/4885KLK1 2701/4885PRKAA2 4278/4885

“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.