SCHEMBL6509074

SCHEMBL6509074

NC(=O)Nc1cn(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)nc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.57
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
ITK Q08881 1/20 0.43
PARP1 P09874 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
SCN9A Q15858 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
TRPM2 O94759 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6499365 0.93 KIF11 (0.52) KIF11PLGPLAUPLATITK
SCHEMBL6506505 0.89 KIF11 (0.51) KIF11ITKSCN9AKMT2ANPC1
SCHEMBL6497270 0.88 KMT2A (0.50) KIF11ITKSCN9AKMT2AMEN1
SCHEMBL6499042 0.88 KDM4E (0.49) ITKPARP1SCN9AKMT2ANPC1
SCHEMBL6497388 0.85 KDM4E (0.53) ITKPARP1KMT2ANPC1RAB9A
SCHEMBL6469868 0.85 IRAK4 (0.54) ITKSCN9ANPC1RAB9AMAPT
SCHEMBL6498765 0.84 MAPT (0.46) ITKSCN9ANPC1RAB9AMAPT
SCHEMBL6501596 0.84 IKBKB (0.47) PLAUITKPARP1KMT2ANPC1
SCHEMBL6508388 0.84 ITK (0.47) ITKSCN9AKMT2ANPC1RAB9A
SCHEMBL6472225 0.83 KMO (0.46) ITKKMT2ANPC1RAB9AMEN1

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 KIF11 4732/4885PLG 2239/4885PLAU 1450/4885

“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.