SCHEMBL6497552

SCHEMBL6497552

COc1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.54
IKBKB O14920 2/20 0.52
LMNA P02545 2/20 0.51
ITK Q08881 1/20 0.50
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PIK3CG P48736 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
SCN9A Q15858 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
SCHEMBL6508745 0.93 ITK (0.52) IRAK4IKBKBLMNAITKTP53
SCHEMBL6505547 0.93 IRAK4 (0.53) IRAK4IKBKBLMNAITKTP53
SCHEMBL6505457 0.89 ITK (0.48) IRAK4ITKTSHRALDH1A1MAPT
SCHEMBL6499825 0.88 KMT2A (0.51) LMNAITKTP53SMN1; SMN2RAB9A
SCHEMBL6505904 0.85 ITK (0.48) IRAK4LMNAITKTP53SMN1; SMN2
SCHEMBL6507806 0.85 SCN9A (0.57) IRAK4ITKRAB9APIK3CGKMT2A
SCHEMBL6465874 0.85 ITK (0.44) IRAK4IKBKBLMNAITKTP53
SCHEMBL6497796 0.85 SCN9A (0.46) IRAK4LMNAITKTP53SMN1; SMN2
SCHEMBL6503522 0.84 ITK (0.48) IRAK4IKBKBLMNAITKSMN1; SMN2
SCHEMBL6508710 0.84 IKBKB (0.47) IRAK4IKBKBLMNAITKTP53

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.