SCHEMBL6500498

SCHEMBL6500498

Cc1cnccc1-c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
IRAK4 Q9NWZ3 9/20 0.43
GRM4 Q14833 1/20 0.43
ITK Q08881 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TBK1 Q9UHD2 2/20 0.37
IKBKE Q14164 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL6502100 0.85 SCN9A (0.45) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6465740 0.84 IRAK4 (0.46) SCN9AIRAK4ITKCCNCCDK8
SCHEMBL6499798 0.84 SCN9A (0.48) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6502841 0.83 SCN9A (0.53) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6505904 0.82 ITK (0.48) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6507397 0.81 ITK (0.45) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6502010 0.81 SCN9A (0.51) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6468674 0.81 ITK (0.43) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6504059 0.81 ITK (0.45) SCN9AIRAK4ITKLMNASMN1; SMN2
SCHEMBL6499349 0.81 SCN9A (0.51) SCN9AIRAK4ITKLMNASMN1; SMN2

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 SCN9A 4159/4885IRAK4 27/4885GRM4 1390/4885

“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.