SCHEMBL6505547

SCHEMBL6505547

COc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.53
IKBKB O14920 3/20 0.51
LMNA P02545 2/20 0.50
ITK Q08881 1/20 0.49
STIM1 Q13586 1/20 0.48
ORAI1 Q96D31 1/20 0.48
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
HDAC2 Q92769 1/20 0.45

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
SCHEMBL6497552 0.93 IRAK4 (0.54) IRAK4IKBKBLMNAITKHSD17B10
SCHEMBL6508745 0.89 ITK (0.52) IRAK4IKBKBLMNAITKHSD17B10
SCHEMBL6500765 0.88 ITK (0.46) IRAK4IKBKBLMNAITKSTIM1
SCHEMBL6499042 0.88 KDM4E (0.49) IRAK4IKBKBLMNAITKHSD17B10
SCHEMBL6499891 0.88 ITK (0.46) IRAK4IKBKBLMNAITKHSD17B10
SCHEMBL6499288 0.87 PLA2G10 (0.45) IRAK4LMNAITKHSD17B10SMN1; SMN2
SCHEMBL6469868 0.87 IRAK4 (0.54) IRAK4ITKHSD17B10SMN1; SMN2TP53
SCHEMBL6508966 0.86 ITK (0.45) IRAK4LMNAITKSTIM1ORAI1
SCHEMBL6470300 0.86 ITK (0.52) IRAK4IKBKBLMNAITKSTIM1
SCHEMBL6508388 0.86 ITK (0.47) IRAK4LMNAITKHSD17B10SMN1; SMN2

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 IRAK4 27/4885IKBKB 664/4885LMNA 1826/4885

“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.