SCHEMBL6469989

SCHEMBL6469989

CNC(=O)c1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.56
PIK3CG P48736 1/20 0.46
ITK Q08881 1/20 0.45
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.42
CDK8 P49336 1/20 0.42
IKBKB O14920 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NR4A2 P43354 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR3 P22607 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6504994 0.93 IRAK4 (0.48) IRAK4PIK3CGITKLMNAKDM4E
SCHEMBL6467349 0.90 ITK (0.46) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6507537 0.89 ITK (0.46) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6470464 0.88 KDM4E (0.46) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6498801 0.86 IRAK4 (0.45) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6505904 0.84 ITK (0.48) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6504845 0.84 ITK (0.46) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6503522 0.83 ITK (0.48) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6508710 0.83 IKBKB (0.47) IRAK4ITKLMNAKDM4EMAPT
SCHEMBL6500705 0.83 MEN1 (0.44) IRAK4ITKLMNAKDM4EMAPT

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 IRAK4 27/4885PIK3CG 4682/4885ITK 4236/4885

“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.