SCHEMBL6500267

SCHEMBL6500267

NC(=O)Nc1cn(-c2cccc(-c3cccc4ncccc34)c2)nc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.42
ITK Q08881 1/20 0.42
MCL1 Q07820 1/20 0.42
PDE4B Q07343 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
GRM4 Q14833 2/20 0.39
ACVR1 Q04771 2/20 0.39
PLCG1 P19174 1/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
SYK P43405 1/20 0.37
GRM2 Q14416 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL6502841 0.84 SCN9A (0.53) SCN9AIRAK4ITKLMNA
SCHEMBL6502010 0.82 SCN9A (0.51) SCN9AIRAK4ITKLMNAKMT2A
SCHEMBL6470433 0.82 SCN9A (0.48) SCN9AIRAK4ITKLMNAMEN1
SCHEMBL6499349 0.80 SCN9A (0.51) SCN9AIRAK4ITKLMNAATM
SCHEMBL6465740 0.79 IRAK4 (0.46) SCN9AIRAK4ITKLMNA
SCHEMBL6528133 0.79 SCN9A (0.56) SCN9AITK
SCHEMBL6499760 0.79 SCN9A (0.48) SCN9AIRAK4ITKLMNAKCNH2
SCHEMBL6507806 0.79 SCN9A (0.57) SCN9AIRAK4ITKMEN1KMT2A
SCHEMBL6503522 0.78 ITK (0.48) SCN9AIRAK4ITKLMNAMEN1
SCHEMBL6508710 0.78 IKBKB (0.47) SCN9AIRAK4ITKLMNAKMT2A

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 SCN9A 4159/4885IRAK4 27/4885ITK 4236/4885

“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.