SCHEMBL6497385

SCHEMBL6497385

CSc1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.46
SCN9A Q15858 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.37
CSNK1E P49674 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PARP1 P09874 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL6500592 0.93 ITK (0.45) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6502813 0.93 ITK (0.45) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6505904 0.85 ITK (0.48) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6499760 0.85 SCN9A (0.48) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6508710 0.84 IKBKB (0.47) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6503522 0.84 ITK (0.48) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6467349 0.84 ITK (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6507537 0.83 ITK (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6499548 0.83 ITK (0.45) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6501255 0.83 ITK (0.45) ITKSCN9AIRAK4LMNASMN1; 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 ITK 4236/4885SCN9A 4159/4885IRAK4 27/4885

“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.