SCHEMBL6468751

SCHEMBL6468751

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
PARP1 P09874 8/20 0.40
IDO1 P14902 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6507842 0.90 IDO1 (0.45) ITKPARP1IDO1MAPTLMNA
SCHEMBL6500141 0.89 ITK (0.44) ITKPARP1IRAK4MAPTALDH1A1
SCHEMBL6502246 0.89 ITK (0.44) ITKPARP1IRAK4LMNAALDH1A1
SCHEMBL6466261 0.89 KIF11 (0.50) ITKPARP1IRAK4SCN9AKDM4E
SCHEMBL6501636 0.87 SCN9A (0.45) ITKIDO1IRAK4MAPTLMNA
SCHEMBL6467527 0.85 KDM4E (0.47) ITKPARP1IRAK4MAPTLMNA
SCHEMBL6506078 0.84 ITK (0.39) ITKPARP1IRAK4MAPTLMNA
SCHEMBL6499580 0.84 ITK (0.39) ITKPARP1IRAK4MAPTSCN9A
SCHEMBL6497900 0.84 ITK (0.41) ITKPARP1IRAK4MAPTSCN9A
SCHEMBL6506661 0.83 ITK (0.48) ITKPARP1IRAK4MAPTSCN9A

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 ITK 4236/4885PARP1 1904/4885IDO1 1519/4885

“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.