SCHEMBL6506090

SCHEMBL6506090

CC(C)(C)NC(=O)c1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.44
ITK Q08881 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 5/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.38
PIK3CG P48736 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
GRM5 P41594 1/20 0.36

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
SCHEMBL6470632 0.86 ITK (0.48) IRAK4ITKKCNH2KDM4ELMNA
SCHEMBL6472225 0.86 KMO (0.46) IRAK4ITKKDM4ELMNAMAPT
SCHEMBL6499042 0.84 KDM4E (0.49) IRAK4ITKKDM4ELMNAMAPT
SCHEMBL6508388 0.82 ITK (0.47) IRAK4ITKKDM4ELMNAMAPT
SCHEMBL6469989 0.82 IRAK4 (0.56) IRAK4ITKKCNH2KDM4ELMNA
SCHEMBL6497388 0.82 KDM4E (0.53) IRAK4ITKKDM4ELMNAMAPT
SCHEMBL6500421 0.82 NPC1 (0.47) ITKKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6498765 0.81 MAPT (0.46) IRAK4ITKKDM4ELMNAMAPT
SCHEMBL6501596 0.80 IKBKB (0.47) IRAK4ITKKDM4ELMNAMAPT
SCHEMBL6467349 0.80 ITK (0.46) IRAK4ITKKCNH2KDM4ELMNA

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 IRAK4 27/4885ITK 4236/4885KCNH2 2980/4885

“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.