SCHEMBL6506096

SCHEMBL6506096

NC(=O)Nc1cn(-c2cccc(-c3ccc(F)cc3)c2)nc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
ITK Q08881 1/20 0.45
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 1/20 0.39
JAK2 O60674 1/20 0.39
EIF2AK2 P19525 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC2 Q92769 1/20 0.39

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 0.92 SCN9A (0.47) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6502065 0.91 SCN9A (0.46) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6501636 0.90 SCN9A (0.45) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6499548 0.90 ITK (0.45) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6501255 0.90 ITK (0.45) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6498355 0.89 KDM4E (0.47) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6504415 0.88 KDM4E (0.50) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6506505 0.88 KIF11 (0.51) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6500705 0.88 MEN1 (0.44) SCN9AKDM4EMAPTMEN1KMT2A
SCHEMBL6467910 0.88 ITK (0.44) SCN9AKDM4EMAPTALDH1A1HTT

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 4159/4885KDM4E 2424/4885MAPT 1906/4885

“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.