SCHEMBL20533652

SCHEMBL20533652

COc1cc2cc[nH]c2cc1N(C=O)c1csc2cncnc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.57
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAP3K7 O43318 3/20 0.36
AURKA O14965 1/20 0.36
FLT3 P36888 1/20 0.36
SYK P43405 1/20 0.36
KDR P35968 1/20 0.35
IRAK1 P51617 1/20 0.33
MAP3K11 Q16584 4/20 0.32
EGFR P00533 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL357347 0.72 IRAK4 (1.00) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL10254362 0.64 IRAK4 (0.51) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL1748737 0.61 TLR8 (0.60) TLR8TLR7
SCHEMBL187054 0.60 TLR8 (0.55) IRAK4TLR8TLR7
SCHEMBL9736014 0.60 TLR8 (0.49) TLR8TLR7
SCHEMBL10254559 0.59 IRAK4 (0.40) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL30039833 0.58 ALDH1A1 (0.48)
SCHEMBL187674 0.57 MEN1 (0.52) TLR8TLR7
SCHEMBL9984284 0.57 TLR8 (0.43) IRAK4TLR8TLR7KDREGFR
SCHEMBL296605 0.56 GPR84 (0.62) TLR8TLR7KDR

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-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 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-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885TLR8 45/4885TLR7 28/4885

“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.