SCHEMBL6467341

SCHEMBL6467341

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.40
PARP1 P09874 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
SCN9A Q15858 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
XBP1 P17861 1/20 0.37
KIF11 P52732 1/20 0.36
EPHX1 P07099 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
NOTUM Q6P988 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
SCHEMBL6470127 0.91 PARP1 (0.38) ITKPARP1MAPTLMNAMEN1
SCHEMBL6466261 0.85 KIF11 (0.50) ITKPARP1SCN9AKIF11HTT
SCHEMBL6469850 0.83 ALKBH5 (0.42) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL6500119 0.83 ITK (0.43) ITKPARP1MAPTKMT2ASCN9A
SCHEMBL6469636 0.82 SCN9A (0.41) ITKPARP1MAPTMEN1KMT2A
SCHEMBL6466433 0.79 SCN9A (0.45) ITKPARP1SCN9ANPC1RAB9A
SCHEMBL6497270 0.79 KMT2A (0.50) ITKMAPTMEN1KMT2ASCN9A
SCHEMBL6469788 0.79 KMT2A (0.46) ITKMAPTLMNAMEN1KMT2A
SCHEMBL6528133 0.78 SCN9A (0.56) ITKSCN9A
SCHEMBL6468751 0.78 ITK (0.44) ITKPARP1MAPTLMNAKMT2A

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 1904/4885MAPT 1906/4885

“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.