SCHEMBL6502652

SCHEMBL6502652

NC(=O)COc1ccccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.43
SCN9A Q15858 3/20 0.40
ITK Q08881 1/20 0.39
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
PARP1 P09874 2/20 0.35
MAPT P10636 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 2/20 0.33
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6501329 0.94 KCNN4 (0.38) KCNN4SCN9AITKPARP1MAPT
SCHEMBL6505715 0.87 ITK (0.43) SCN9AITKPARP1MAPTKDM4E
SCHEMBL6504376 0.85 ITK (0.38) KCNN4SCN9AITKPARP1ALDH1A1
SCHEMBL6497900 0.83 ITK (0.41) SCN9AITKPARP1MAPTIRAK4
SCHEMBL6504773 0.83 KDM4E (0.38) KCNN4SCN9AITKMAPTKDM4E
SCHEMBL6506078 0.81 ITK (0.39) SCN9AITKPARP1MAPTIRAK4
SCHEMBL6501540 0.80 ITK (0.40) SCN9AITKPARP1MAPTMEN1
SCHEMBL6508879 0.79 ITK (0.38) SCN9AITKPARP1MAPTIRAK4
SCHEMBL6468751 0.78 ITK (0.44) SCN9AITKPARP1MAPTIRAK4
SCHEMBL6470220 0.77 ITK (0.38) KCNN4SCN9AITKALOX5APFEN1

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KCNN4 3466/4885SCN9A 4159/4885ITK 4236/4885

“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.