SCHEMBL16486533

SCHEMBL16486533

CCCCCn1c(N)nc2ccncc21

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.67
CXCR4 P61073 1/20 0.54
POLB P06746 1/20 0.51
RPS6KA5 O75582 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
NUDT1 P36639 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL16486756 0.88 TLR8 (0.67) TLR8CXCR4POLBRPS6KA5
SCHEMBL1170110 0.80 TLR8 (1.00) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL16512992 0.79 TLR8 (1.00) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL16512956 0.77 TLR8 (1.00) TLR8CXCR4POLB
SCHEMBL2343059 0.75 TLR8 (1.00) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL19233684 0.74 NTRK1 (0.42) TLR8CXCR4POLBRPS6KA5CYP1A2
SCHEMBL16512990 0.73 TLR8 (0.71) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL16512950 0.73 TLR8 (1.00) TLR8CXCR4POLBNUDT1BACE1
SCHEMBL1170261 0.72 TLR8 (0.72) TLR8CXCR4POLBRPS6KA5NUDT1
SCHEMBL16512785 0.72 TLR8 (0.64) TLR8CXCR4POLB

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 TLR8 3/4885CXCR4 300/4885POLB 1271/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 TLR8 3/4885CXCR4 300/4885POLB 1271/4885

“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.