SCHEMBL6507532

SCHEMBL6507532

N#CCOc1ccccc1-c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.52
ITK Q08881 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL6499446 0.92 SCN9A (0.47) SCN9AITKSCN10AALOX5APFEN1
SCHEMBL6498000 0.90 ALOX5AP (0.39) SCN9AITKALOX5APFEN1IRAK4
SCHEMBL6465874 0.88 ITK (0.44) SCN9AITKIRAK4
SCHEMBL6504829 0.86 SCN9A (0.53) SCN9AITKSCN10A
SCHEMBL6470662 0.86 ITK (0.45) SCN9AITKIRAK4
SCHEMBL6500256 0.85 ITK (0.40) SCN9AITKALOX5APFEN1
SCHEMBL6470220 0.85 ITK (0.38) SCN9AITKALOX5APFEN1IRAK4
SCHEMBL6467409 0.85 FEN1 (0.48) SCN9AITKALOX5APFEN1
SCHEMBL6507806 0.84 SCN9A (0.57) SCN9AITKSCN10AIRAK4
SCHEMBL6502983 0.84 ITK (0.41) SCN9AITKIRAK4

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 2 patents. 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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 SCN9A 4159/4885ITK 4236/4885SCN10A 3527/4885

“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.