SCHEMBL18124772

SCHEMBL18124772

C=C(C)CC[C@@H](Nc1nc(N)nc2cccnc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 17/20 0.61
▸ TLR7 Q9NYK1 8/20 0.55
▸ KCNH2 Q12809 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37

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
SCHEMBL18923200 0.87 TLR8 (0.72) TLR8TLR7KCNH2
SCHEMBL18109522 0.83 TLR8 (0.77) TLR8TLR7KCNH2
SCHEMBL18109524 0.83 TLR8 (0.77) TLR8TLR7KCNH2
SCHEMBL24621642 0.81 TLR8 (0.64) TLR8TLR7KCNH2ADORA3ADORA2A
SCHEMBL18109493 0.78 TLR8 (0.87) TLR8TLR7KCNH2
SCHEMBL18109496 0.78 TLR8 (0.87) TLR8TLR7KCNH2
SCHEMBL18109344 0.77 TLR8 (0.45) TLR8TLR7
SCHEMBL18109343 0.77 TLR8 (0.45) TLR8TLR7
SCHEMBL18109621 0.76 TLR8 (0.70) TLR8TLR7KCNH2ADORA1
SCHEMBL18109622 0.76 TLR8 (0.70) TLR8TLR7KCNH2ADORA1

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-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 — — US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 — — US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 — — 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-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4348/4885

“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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