SCHEMBL6498196

SCHEMBL6498196

CCCCc1ccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
HSD11B1 P28845 2/20 0.40
SCN9A Q15858 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
PARP1 P09874 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC5A1 P13866 4/20 0.37
RARB P10826 1/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6467910 0.88 ITK (0.44) ITKSCN9AMAPTIRAK4PARP1
SCHEMBL6468754 0.87 ITK (0.43) ITKSCN9AMAPTIRAK4PARP1
SCHEMBL6508447 0.85 ITK (0.47) ITKSCN9AMAPTIRAK4PARP1
SCHEMBL6533612 0.83 ITK (0.41) ITKMAPTTDP1PARP1ALDH1A1
SCHEMBL6499548 0.83 ITK (0.45) ITKSCN9AMAPTIRAK4LMNA
SCHEMBL6506609 0.83 ITK (0.49) ITKSCN9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6470279 0.83 SCN9A (0.42) ITKSCN9AMAPTIRAK4PARP1
SCHEMBL6468716 0.83 BACE1 (0.44) ITKMAPTIRAK4PARP1LMNA
SCHEMBL6470665 0.83 ITK (0.46) ITKSCN9AMAPTTDP1IRAK4
SCHEMBL6506096 0.82 SCN9A (0.48) ITKSCN9AMAPTTDP1IRAK4

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 4236/4885HSD11B1 2016/4885SCN9A 4159/4885

“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.