SCHEMBL6499749

SCHEMBL6499749

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.41
HTR6 P50406 11/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NAMPT P43490 2/20 0.36
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
SLC10A2 Q12908 1/20 0.34
SLC10A1 Q14973 1/20 0.34
SLC10A6 Q3KNW5 1/20 0.34

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
SCHEMBL6507544 0.90 NAMPT (0.41) ITKNAMPTABCC9ABCC8KCNJ11
SCHEMBL6470265 0.86 ITK (0.42) ITKHTR6NAMPTABCC9ABCC8
SCHEMBL6506661 0.81 ITK (0.48) ITK
SCHEMBL6502246 0.79 ITK (0.44) ITK
SCHEMBL6505843 0.79 ITK (0.41) ITK
SCHEMBL6469876 0.78 HSD11B1 (0.42) ITKNAMPTABCC9ABCC8KCNJ11
SCHEMBL6502412 0.77 SCN9A (0.47) ITK
SCHEMBL6470611 0.77 ITK (0.40) ITK
SCHEMBL6500141 0.77 ITK (0.44) ITK
SCHEMBL6467588 0.76 ABCC9 (0.42) ITKNAMPTABCC9ABCC8KCNJ11

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 4236/4885HTR6 1985/4885PTGDR2 374/4885

“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.