SCHEMBL6506233

SCHEMBL6506233

NC(=O)Nc1cn(-c2ccc(Sc3ccccc3F)c(Cl)c2)nc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.39
IRAK4 Q9NWZ3 5/20 0.34
RIPK1 Q13546 1/20 0.34
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KMT2A Q03164 2/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 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
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NTRK1 P04629 3/20 0.33
PARP1 P09874 1/20 0.32
SCN9A Q15858 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
SCHEMBL6465878 0.86 ITK (0.37) ITKIRAK4MAPK14KMT2AKCNH2
SCHEMBL6465977 0.84 ITK (0.40) ITKIRAK4MAPK14KMT2AMEN1
SCHEMBL6468080 0.84 ITK (0.42) ITKIRAK4KMT2AKCNH2MEN1
SCHEMBL6468749 0.80 ITK (0.44) ITKIRAK4MAPK14KMT2AMEN1
SCHEMBL6505918 0.79 ITK (0.38) ITKIRAK4KMT2AJAK2JAK1
SCHEMBL6468751 0.78 ITK (0.44) ITKIRAK4KMT2APOLBPARP1
SCHEMBL6465915 0.78 ITK (0.44) ITKIRAK4MAPK14KCNH2PARP1
SCHEMBL6506313 0.77 ITK (0.44) ITKIRAK4KMT2AKCNH2MEN1
SCHEMBL6470449 0.77 ITK (0.42) ITKIRAK4KMT2AMEN1POLB
SCHEMBL6504832 0.76 GRIN2B (0.41) ITKKMT2AMEN1NPC1RAB9A

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 4236/4885IRAK4 27/4885RIPK1 2437/4885

“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.