SCHEMBL6499349

SCHEMBL6499349

CC(=O)c1ccccc1-c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.51
ITK Q08881 1/20 0.47
GRM5 P41594 1/20 0.45
IRAK4 Q9NWZ3 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
PARP1 P09874 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6502841 0.88 SCN9A (0.53) SCN9AITKIRAK4SMN1; SMN2LMNA
SCHEMBL6502010 0.86 SCN9A (0.51) SCN9AITKGRM5IRAK4SMN1; SMN2
SCHEMBL6507537 0.85 ITK (0.46) SCN9AITKIRAK4SMN1; SMN2LMNA
SCHEMBL6499760 0.84 SCN9A (0.48) SCN9AITKIRAK4SMN1; SMN2LMNA
SCHEMBL6507806 0.84 SCN9A (0.57) SCN9AITKIRAK4MAPT
SCHEMBL6504845 0.84 ITK (0.46) SCN9AITKIRAK4SMN1; SMN2LMNA
SCHEMBL6470433 0.83 SCN9A (0.48) SCN9AITKIRAK4SMN1; SMN2LMNA
SCHEMBL6505904 0.82 ITK (0.48) SCN9AITKGRM5IRAK4SMN1; SMN2
SCHEMBL6528133 0.82 SCN9A (0.56) SCN9AITKGRM5
SCHEMBL6467744 0.82 SMN1; SMN2 (0.48) SCN9AITKSMN1; SMN2LMNAPARP1

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 4159/4885ITK 4236/4885GRM5 3545/4885

“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.