SCHEMBL16486333

SCHEMBL16486333

CCCCOc1nccc2c1nc(CCCC)n2Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.71
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50

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
SCHEMBL16486729 0.84 TLR7 (0.76) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL16486561 0.83 TLR7 (1.00) TLR7
SCHEMBL17819089 0.80 TLR7 (0.69) TLR7PDE4B
SCHEMBL17819053 0.80 TLR7 (0.69) TLR7PDE4B
SCHEMBL16487102 0.77 TLR7 (0.65) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL16487057 0.76 TLR7 (0.62) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL16487178 0.73 TLR7 (0.60) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL9872947 0.73 TLR7 (0.56) TLR7
SCHEMBL9704818 0.73 AGTR1 (0.70)
SCHEMBL16486422 0.71 TLR7 (1.00) TLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 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 (2 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 TLR7 2/4885PDE4A 472/4885PDE4B 873/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 TLR7 2/4885PDE4A 472/4885PDE4B 873/4885

“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.