SCHEMBL21297478

SCHEMBL21297478

CCCCCn1c(N)nc2cc(N3CCOCC3=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.56
▸ CXCR4 P61073 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PTGS2 P35354 2/20 0.39

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
SCHEMBL18650900 0.89 TLR8 (0.42) TLR8CXCR4NUDT1BACE1F10
SCHEMBL18650876 0.88 BACE1 (0.54) TLR8CXCR4NUDT1BACE1F10
SCHEMBL18650904 0.88 TLR8 (0.41) TLR8CXCR4NUDT1BACE1F10
SCHEMBL18650908 0.85 BACE1 (0.38) TLR8CXCR4NUDT1BACE1F10
SCHEMBL18650899 0.85 F10 (0.39) TLR8NUDT1BACE1F10PTGS2
SCHEMBL18668081 0.85 TLR8 (0.39) TLR8CXCR4NUDT1BACE1F10
SCHEMBL18650896 0.85 TLR8 (0.39) TLR8CXCR4NUDT1BACE1F10
SCHEMBL18650877 0.84 F10 (0.39) TLR8NUDT1BACE1F10PTGS2
SCHEMBL18631316 0.83 BACE1 (0.38) TLR8NUDT1BACE1F10PTGS2
SCHEMBL18650917 0.83 F10 (0.39) TLR8NUDT1BACE1F10PTGS2

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-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — 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-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 TLR8 40/4885CXCR4 1348/4885NUDT1 2474/4885

“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.

Send feedback