SCHEMBL6425946

SCHEMBL6425946

COc1c(C(=O)O)ccc2c1c(C=Cc1ccc(F)cc1)nn2C(N)CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
CTSL P07711 2/20 0.31
MMP1 P03956 1/20 0.31
PTGS2 P35354 1/20 0.31
NFE2L2 Q16236 3/20 0.31
KDM4C Q9H3R0 1/20 0.30
PTPN1 P18031 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30

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
SCHEMBL6427406 0.90 ENPP2 (0.33) ENPP2CTSLMMP1PTGS2NFE2L2
SCHEMBL6427836 0.89 ENPP2 (0.32) ENPP2CTSLMMP1PTGS2PTPN1
SCHEMBL6428560 0.89 ENPP2 (0.32) ENPP2CTSLMMP1PTGS2KDM4C
SCHEMBL6425803 0.88 ENPP2 (0.32) ENPP2MMP1NFE2L2KDM4CPTPN1
SCHEMBL6430160 0.87 ENPP2 (0.31) ENPP2MMP1KDM4C
SCHEMBL6426059 0.87 KDM4C (0.32) ENPP2KDM4C
SCHEMBL6426324 0.87 CTSL (0.33) ENPP2CTSLMMP1PTGS2NFE2L2
SCHEMBL6426285 0.84 CYP24A1 (0.40) KDM4C
SCHEMBL6427753 0.84 KDM4E (0.37)
SCHEMBL6426342 0.83 ENPP2 (0.31) ENPP2

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ENPP2 3605/4885CTSL 4660/4885MMP1 3334/4885

“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.