SCHEMBL6502065

SCHEMBL6502065

NC(=O)Nc1cn(-c2cccc(-c3cc(F)cc(F)c3)c2)nc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
ITK Q08881 1/20 0.45
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
IRAK4 Q9NWZ3 7/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
PARP1 P09874 2/20 0.37
IKBKB O14920 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6502412 0.94 SCN9A (0.47) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6506096 0.91 SCN9A (0.48) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6501636 0.88 SCN9A (0.45) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6505030 0.87 ITK (0.42) ITKKDM4EMAPTIRAK4LMNA
SCHEMBL6506661 0.87 ITK (0.48) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6508463 0.86 ITK (0.45) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6503522 0.86 ITK (0.48) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6467349 0.86 ITK (0.46) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6508710 0.86 IKBKB (0.47) SCN9AITKKDM4EMAPTIRAK4
SCHEMBL6465740 0.85 IRAK4 (0.46) SCN9AITKKDM4EMAPTIRAK4

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 4159/4885ITK 4236/4885KDM4E 2424/4885

“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.