SCHEMBL6499580

SCHEMBL6499580

NC(=O)Nc1cn(-c2ccc(-c3ccc(O)cc3)c(F)c2)nc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.39
SCN9A Q15858 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PARP1 P09874 4/20 0.36
APP P05067 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 2/20 0.36
KIF11 P52732 2/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL6497714 0.89 CAPN1 (0.39) ITKSCN9APARP1KIF11KDM4E
SCHEMBL6470182 0.89 SCN9A (0.43) ITKSCN9APARP1CYP3A4CYP2D6
SCHEMBL6503754 0.88 KDM4E (0.42) ITKSCN9ADYRK1AKIF11KDM4E
SCHEMBL6499994 0.87 ITK (0.39) ITKSCN9ACLK1DYRK1ADYRK2
SCHEMBL6502483 0.87 ITK (0.41) ITKSCN9ACLK1DYRK1ADYRK2
SCHEMBL6498693 0.85 KDM4E (0.46) ITKCLK1DYRK1ADYRK2DYRK1B
SCHEMBL6506078 0.85 ITK (0.39) ITKSCN9ADYRK1APARP1KIF11
SCHEMBL6497900 0.85 ITK (0.41) ITKSCN9APARP1KDM4EMAPT
SCHEMBL6505377 0.84 MAPT (0.42) ITKSCN9AKDM4EMAPTNPC1
SCHEMBL6468751 0.84 ITK (0.44) ITKSCN9APARP1KIF11KDM4E

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 4236/4885SCN9A 4159/4885CLK1 3876/4885

“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.