SCHEMBL16487102

SCHEMBL16487102

CCCCc1nc2c(NC(C)=O)nccc2n1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.65
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL16487057 0.90 TLR7 (0.62) TLR7AGTR1AGTR2PDE4APDE4B
SCHEMBL17819053 0.84 TLR7 (0.69) TLR7PDE4B
SCHEMBL17819089 0.84 TLR7 (0.69) TLR7PDE4B
SCHEMBL16486729 0.80 TLR7 (0.76) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL16486561 0.79 TLR7 (1.00) TLR7
SCHEMBL16486333 0.77 TLR7 (0.71) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL9704818 0.73 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8944733 0.71 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9704828 0.71 TLR7 (0.53) TLR7AGTR1AGTR2
SCHEMBL16487178 0.69 TLR7 (0.60) TLR7AGTR1AGTR2PDE4APDE4B

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 4 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
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 2/4885AGTR1 578/4885AGTR2 1178/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 TLR7 2/4885AGTR1 578/4885AGTR2 1178/4885

“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.