SCHEMBL5616291

SCHEMBL5616291

CCCc1nc2c(N)nc3ccc(CCCON)nc3c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 16/20 0.39
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL6807516 0.81 PI4KA (0.41) DHFRTLR8TLR7PI4KAPI4K2B
SCHEMBL9036182 0.69 TLR7 (0.52) TLR8TLR7
SCHEMBL20134736 0.68 DHFR (0.67) DHFR
SCHEMBL16984491 0.67 DHFR (0.70) DHFR
SCHEMBL5509023 0.67 KDM4E (0.36) DHFRTLR8TLR7
SCHEMBL18109747 0.67 DHFR (0.69) DHFR
SCHEMBL9038851 0.64 PARP1 (0.57) TLR8TLR7
SCHEMBL18587589 0.64 TLR8 (0.48) TLR8TLR7
SCHEMBL20968317 0.64 PARP1 (0.41) TLR8TLR7
SCHEMBL23422173 0.63 TLR8 (0.37) TLR8TLR7

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-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 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-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 DHFR 244/4885TLR8 139/4885TLR7 69/4885

“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.