SCHEMBL6501657

SCHEMBL6501657

Cc1cc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
SCN9A Q15858 1/20 0.43
LMNA P02545 4/20 0.40
GAA P10253 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN2B Q13224 10/20 0.39
CHRNA7 P36544 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIN1 Q05586 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
SCHEMBL6501636 0.90 SCN9A (0.45) ITKSCN9ALMNAIRAK4SMN1; SMN2
SCHEMBL6506219 0.90 ITK (0.42) ITKSMN1; SMN2GRIN2BKDM4EMAPT
SCHEMBL6502246 0.88 ITK (0.44) ITKLMNAGAAIRAK4GRIN2B
SCHEMBL6497902 0.88 SCN9A (0.43) ITKSCN9ALMNAIRAK4GRIN2B
SCHEMBL6506096 0.87 SCN9A (0.48) ITKSCN9ALMNAIRAK4SMN1; SMN2
SCHEMBL6504059 0.86 ITK (0.45) ITKSCN9ALMNAGAAIRAK4
SCHEMBL6505904 0.86 ITK (0.48) ITKSCN9ALMNAIRAK4SMN1; SMN2
SCHEMBL6502412 0.86 SCN9A (0.47) ITKSCN9ALMNAIRAK4SMN1; SMN2
SCHEMBL6497796 0.85 SCN9A (0.46) ITKSCN9ALMNAIRAK4SMN1; SMN2
SCHEMBL6502065 0.85 SCN9A (0.46) ITKSCN9ALMNAGAAIRAK4

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 4159/4885LMNA 1826/4885

“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.