SCHEMBL3436664

SCHEMBL3436664

CCCNC(=O)c1coc(-c2ccnc(N)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.48
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL3436665 0.86 IRAK4 (0.46) IRAK4
SCHEMBL14000147 0.84 IRAK4 (0.47) IRAK4TLR9TLR8TLR7
SCHEMBL3436653 0.83 HDAC1 (0.50)
SCHEMBL3436661 0.80 HDAC1 (0.44)
SCHEMBL12800248 0.79 IRAK4 (0.49) IRAK4TLR9TLR8TLR7
SCHEMBL3436645 0.79 HDAC1 (0.65)
SCHEMBL16699369 0.79 CDC7 (0.50) IRAK4
SCHEMBL29505241 0.79 ALDH1A1 (0.48) IRAK4
SCHEMBL16896492 0.79 ALDH1A1 (0.48) IRAK4
SCHEMBL3436663 0.78 IRAK4 (0.43) IRAK4

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 IRAK4 199/4885TLR9 1901/4885TLR8 261/4885

“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.