SCHEMBL6501329

SCHEMBL6501329

NC(=O)COc1cc(F)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
ITK Q08881 1/20 0.37
SCN9A Q15858 4/20 0.36
PARP1 P09874 4/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TGFBR1 P36897 1/20 0.33
CCR3 P51677 1/20 0.33
BRD4 O60885 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL6502652 0.94 KCNN4 (0.43) KCNN4ITKSCN9APARP1IRAK4
SCHEMBL6504376 0.91 ITK (0.38) KCNN4ITKSCN9APARP1GRIN1
SCHEMBL6506078 0.85 ITK (0.39) ITKSCN9APARP1IRAK4NPC1
SCHEMBL6504773 0.85 KDM4E (0.38) KCNN4ITKSCN9ANPC1LMNA
SCHEMBL6501540 0.84 ITK (0.40) ITKSCN9APARP1NPC1RAB9A
SCHEMBL6505715 0.83 ITK (0.43) ITKSCN9APARP1NPC1RAB9A
SCHEMBL6508879 0.83 ITK (0.38) ITKSCN9APARP1IRAK4NPC1
SCHEMBL6503754 0.80 KDM4E (0.42) ITKSCN9ATGFBR1IRAK4NPC1
SCHEMBL6470404 0.79 GPBAR1 (0.37) KCNN4ITKSCN9APARP1NPC1
SCHEMBL6497900 0.79 ITK (0.41) ITKSCN9APARP1IRAK4NPC1

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 KCNN4 3466/4885ITK 4236/4885SCN9A 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.