SCHEMBL6506078

SCHEMBL6506078

NC(=O)Nc1cn(-c2ccc(-c3ccc(F)cc3O)c(F)c2)nc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.39
PARP1 P09874 5/20 0.38
SCN9A Q15858 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FGFR3 P22607 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL6508879 0.94 ITK (0.38) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6497900 0.91 ITK (0.41) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6470611 0.89 ITK (0.40) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6470351 0.88 KDM4E (0.42) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6501540 0.86 ITK (0.40) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6503754 0.86 KDM4E (0.42) ITKSCN9ANPC1RAB9ALMNA
SCHEMBL6506697 0.85 SCN9A (0.50) ITKSCN9ALMNAIRAK4MAPT
SCHEMBL6497714 0.85 CAPN1 (0.39) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6501329 0.85 KCNN4 (0.38) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6499580 0.85 ITK (0.39) ITKPARP1SCN9ANPC1RAB9A

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 ITK 4236/4885PARP1 1904/4885SCN9A 4159/4885

“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.