SCHEMBL6505918

SCHEMBL6505918

NC(=O)Nc1cn(-c2ccc(S(=O)(=O)c3ccccc3F)c(Cl)c2)nc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.38
KAT6A Q92794 5/20 0.34
CNR1 P21554 3/20 0.34
HSD11B1 P28845 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CNR2 P34972 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NTRK1 P04629 2/20 0.32
CYP2C9 P11712 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL6469876 0.86 HSD11B1 (0.42) ITKHSD11B1MEN1KMT2A
SCHEMBL6467588 0.85 ABCC9 (0.42) ITKCNR1HSD11B1IRAK4CNR2
SCHEMBL6468749 0.80 ITK (0.44) ITKIRAK4MEN1POLBKMT2A
SCHEMBL6506233 0.79 ITK (0.39) ITKIRAK4JAK2JAK1TYK2
SCHEMBL6468751 0.77 ITK (0.44) ITKIRAK4POLBKMT2A
SCHEMBL6470449 0.77 ITK (0.42) ITKIRAK4MEN1POLBKMT2A
SCHEMBL6504832 0.75 GRIN2B (0.41) ITKMEN1KMT2A
SCHEMBL6497902 0.75 SCN9A (0.43) ITKIRAK4MEN1KMT2A
SCHEMBL6507544 0.74 NAMPT (0.41) ITKIRAK4
SCHEMBL6466261 0.74 KIF11 (0.50) ITKIRAK4

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 4236/4885KAT6A 3872/4885CNR1 600/4885

“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.