SCHEMBL6507537

SCHEMBL6507537

CC(=O)c1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.46
IRAK4 Q9NWZ3 5/20 0.44
HDAC2 Q92769 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
MAP4K4 O95819 2/20 0.41
CSNK1G2 P78368 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MAP4K5 Q9Y4K4 2/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
FYN P06241 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6504845 0.92 ITK (0.46) ITKIRAK4HDAC2LMNASMN1; SMN2
SCHEMBL6467349 0.92 ITK (0.46) ITKIRAK4LMNASMN1; SMN2SCN9A
SCHEMBL6470464 0.90 KDM4E (0.46) ITKIRAK4LMNASMN1; SMN2SCN9A
SCHEMBL6469989 0.89 IRAK4 (0.56) ITKIRAK4LMNASMN1; SMN2SCN9A
SCHEMBL6467744 0.88 SMN1; SMN2 (0.48) ITKLMNASMN1; SMN2SCN9AKDM4E
SCHEMBL6505904 0.86 ITK (0.48) ITKIRAK4HDAC2LMNASMN1; SMN2
SCHEMBL6503522 0.85 ITK (0.48) ITKIRAK4LMNASMN1; SMN2SCN9A
SCHEMBL6508710 0.85 IKBKB (0.47) ITKIRAK4LMNASMN1; SMN2SCN9A
SCHEMBL6499349 0.85 SCN9A (0.51) ITKIRAK4LMNASMN1; SMN2SCN9A
SCHEMBL6500349 0.85 SMN1; SMN2 (0.47) ITKIRAK4HDAC2LMNASMN1; SMN2

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 27/4885HDAC2 444/4885

“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.