SCHEMBL6470127

SCHEMBL6470127

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
XBP1 P17861 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
ITK Q08881 1/20 0.36
HTT P42858 2/20 0.35
EPHX1 P07099 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.33
SCN9A Q15858 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
NOTUM Q6P988 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
SCHEMBL6467341 0.91 ITK (0.40) PARP1LMNAMAPTMEN1KMT2A
SCHEMBL6469850 0.80 ALKBH5 (0.42) PARP1LMNAMAPTMEN1KMT2A
SCHEMBL6466261 0.77 KIF11 (0.50) PARP1ITKHTTNPC1RAB9A
SCHEMBL6469636 0.76 SCN9A (0.41) PARP1MAPTMEN1KMT2AITK
SCHEMBL6500119 0.75 ITK (0.43) PARP1MAPTKMT2AITKHTT
SCHEMBL6466433 0.72 SCN9A (0.45) PARP1ITKNPC1RAB9ASCN9A
SCHEMBL6497270 0.71 KMT2A (0.50) MAPTMEN1KMT2AITKSCN9A
SCHEMBL6528133 0.71 SCN9A (0.56) ITKSCN9A
SCHEMBL6469788 0.71 KMT2A (0.46) LMNAMAPTMEN1KMT2AITK
SCHEMBL6468751 0.70 ITK (0.44) PARP1LMNAMAPTKMT2AITK

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 PARP1 1904/4885LMNA 1826/4885MAPT 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.