SCHEMBL6508447

SCHEMBL6508447

CC(C)Cc1ccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.47
SCN9A Q15858 1/20 0.40
PARP1 P09874 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC5A1 P13866 2/20 0.36
FYN P06241 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL6498382 0.89 ITK (0.45) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6467910 0.89 ITK (0.44) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6468754 0.88 ITK (0.43) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6507603 0.87 ITK (0.49) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6498196 0.85 ITK (0.42) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6499548 0.84 ITK (0.45) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6501255 0.84 ITK (0.45) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6470279 0.84 SCN9A (0.42) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6504845 0.83 ITK (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6500001 0.83 ITK (0.50) ITKSCN9APARP1IRAK4LMNA

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 ITK 4236/4885SCN9A 4159/4885PARP1 1904/4885

“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.