SCHEMBL6507064

SCHEMBL6507064

NC(=O)Nc1cn(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2F)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.43
CFTR P13569 4/20 0.39
KIF11 P52732 1/20 0.38
ACLY P53396 1/20 0.38
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA9 Q16790 5/20 0.37
CA12 O43570 3/20 0.37
NAMPT P43490 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
KCNH2 Q12809 1/20 0.36
PARP1 P09874 1/20 0.36
IKBKB O14920 1/20 0.34
CA4 P22748 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6506387 0.90 ITK (0.41) ITKCFTRKIF11CA1CA2
SCHEMBL6468046 0.90 ITK (0.43) ITKCFTRKIF11CA1CA2
SCHEMBL6468270 0.85 CA9 (0.48) ITKCFTRCA1CA2CA9
SCHEMBL6500202 0.82 ITK (0.43) ITKKIF11PARP1ALDH1A1
SCHEMBL6470265 0.80 ITK (0.42) ITKCA1CA2CA9CA12
SCHEMBL6507544 0.78 NAMPT (0.41) ITKCFTRCA1CA2CA9
SCHEMBL6469876 0.78 HSD11B1 (0.42) ITKCFTRCA1CA2CA9
SCHEMBL6467527 0.76 KDM4E (0.47) ITKCA1CA2CA9CA12
SCHEMBL6478539 0.75 ITK (0.43) ITKKIF11ACLYPARP1
SCHEMBL6467588 0.75 ABCC9 (0.42) ITKCA1CA2CA9CA12

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 4236/4885CFTR 2359/4885KIF11 4732/4885

“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.