SCHEMBL16512992

SCHEMBL16512992

CCCCCCn1c(N)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 11/20 1.00
▸ CXCR4 P61073 1/20 0.81
▸ POLB P06746 1/20 0.77
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ TP53 P04637 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL1170110 0.98 TLR8 (1.00) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL2343059 0.94 TLR8 (1.00) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL14447553 0.92 CXCR4 (0.96) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL6197634 0.92 CXCR4 (0.96) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL6196399 0.90 CXCR4 (1.00) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL1520381 0.87 POLB (1.00) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL7164854 0.87 CXCR4 (0.93) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL22844179 0.84 CXCR4 (0.81) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL22844258 0.84 CXCR4 (0.81) TLR8CXCR4POLBCYP1A2CYP2D6
SCHEMBL30814682 0.84 CXCR4 (0.81) TLR8CXCR4POLBCYP1A2CYP2D6

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.

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