SCHEMBL6505508

SCHEMBL6505508

NC(=O)Nc1cn(-c2ccc(-c3cc(F)ccc3OCc3ncco3)cc2)nc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.37
SCN9A Q15858 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
GRM2 Q14416 1/20 0.35
SYK P43405 2/20 0.35
NR3C2 P08235 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ITK Q08881 1/20 0.34
MET P08581 1/20 0.33
CTSA P10619 1/20 0.33
MAPK1 P28482 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MAPT P10636 1/20 0.33
FABP3 P05413 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL6504773 0.84 KDM4E (0.38) SCN9ASCN10AGRM2KDM4EMEN1
SCHEMBL6478556 0.84 PTGDR2 (0.45) SCN9ASCN10AKDM4EMEN1ALDH1A1
SCHEMBL6470117 0.82 ALOX5AP (0.39) SCN9ASCN10AGRM2KDM4EMEN1
SCHEMBL6499913 0.81 LRRK2 (0.46) KDM4EMEN1ALDH1A1KMT2AITK
SCHEMBL6501607 0.81 ITK (0.41) IRAK4SCN9AKDM4EMEN1ALDH1A1
SCHEMBL6502148 0.81 RAB9A (0.40) SCN9ASCN10AGRM2KDM4EMEN1
SCHEMBL6465688 0.80 RAB9A (0.39) SCN9ASCN10AGRM2KDM4EMEN1
SCHEMBL6470068 0.80 FKBP1A (0.45) SCN9AALDH1A1HTTMAPK1MAPT
SCHEMBL6467401 0.77 KDM4E (0.41) SCN9AKDM4EMEN1ALDH1A1HTT
SCHEMBL6503754 0.76 KDM4E (0.42) IRAK4SCN9AKDM4EMEN1ALDH1A1

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 2 patents. 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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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 27/4885SCN9A 4159/4885SCN10A 3527/4885

“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.