SCHEMBL6469868

SCHEMBL6469868

NC(=O)Nc1cn(-c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)nc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.54
SCN9A Q15858 1/20 0.48
ITK Q08881 1/20 0.45
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DYRK1A Q13627 1/20 0.41
SERPINE1 P05121 1/20 0.41
CHEK1 O14757 1/20 0.41
SLC6A7 Q99884 1/20 0.41
DHODH Q02127 4/20 0.40
IGF2BP2 Q9Y6M1 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL6505547 0.87 IRAK4 (0.53) IRAK4ITKKDM4ENPC1ALDH1A1
SCHEMBL6500601 0.86 ITK (0.47) IRAK4SCN9AITKKDM4ENPC1
SCHEMBL6499042 0.85 KDM4E (0.49) IRAK4SCN9AITKKDM4ENPC1
SCHEMBL6499891 0.85 ITK (0.46) IRAK4SCN9AITKKDM4ENPC1
SCHEMBL6509074 0.85 KIF11 (0.57) SCN9AITKKDM4ENPC1ALDH1A1
SCHEMBL6499288 0.84 PLA2G10 (0.45) IRAK4ITKKDM4ENPC1ALDH1A1
SCHEMBL6500765 0.83 ITK (0.46) IRAK4ITKKDM4ENPC1ALDH1A1
SCHEMBL6497388 0.82 KDM4E (0.53) IRAK4ITKKDM4ENPC1ALDH1A1
SCHEMBL6507219 0.82 ITK (0.44) IRAK4SCN9AITKKDM4ENPC1
SCHEMBL6498765 0.82 MAPT (0.46) IRAK4SCN9AITKKDM4ENPC1

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 4159/4885ITK 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.