SCHEMBL6468674

SCHEMBL6468674

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.43
IKBKB O14920 1/20 0.42
SCN9A Q15858 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
IRAK4 Q9NWZ3 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
LMNA P02545 2/20 0.36
ESR2 Q92731 1/20 0.36
MAPK10 P53779 2/20 0.35

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
SCHEMBL6502100 0.92 SCN9A (0.45) ITKIKBKBSCN9AIRAK4SMN1; SMN2
SCHEMBL6502483 0.89 ITK (0.41) ITKSCN9ACA1CA2IRAK4
SCHEMBL6499099 0.88 ITK (0.42) ITKCA1CA2IRAK4SMN1; SMN2
SCHEMBL6468728 0.88 IKBKB (0.42) ITKIKBKBSCN9AIRAK4SMN1; SMN2
SCHEMBL6470182 0.88 SCN9A (0.43) ITKIKBKBSCN9AIRAK4SMN1; SMN2
SCHEMBL6508710 0.86 IKBKB (0.47) ITKIKBKBSCN9ACA2IRAK4
SCHEMBL6467585 0.85 SCN9A (0.44) ITKIKBKBSCN9AIRAK4SMN1; SMN2
SCHEMBL6466433 0.85 SCN9A (0.45) ITKIKBKBSCN9ANPC1ALDH1A1
SCHEMBL6498765 0.85 MAPT (0.46) ITKIKBKBSCN9AIRAK4SMN1; SMN2
SCHEMBL6499798 0.85 SCN9A (0.48) ITKSCN9AIRAK4SMN1; SMN2KDM4E

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 2 patents. 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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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 4236/4885IKBKB 664/4885SCN9A 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.