SCHEMBL18638267

SCHEMBL18638267

CCC[C@H](Nc1nc(NCCC[C@H](Nc2nc(NCCC[C@H](Nc3nc(N)nc4cccnc34)C(=O)NCc3ccccn3)nc3cccnc23)C(=O)NCCN)nc2cccnc12)C(=O)NCC(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 15/20 0.49
▸ TLR7 Q9NYK1 8/20 0.42
▸ CYP1A2 P05177 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL18638062 0.97 TLR8 (0.46) TLR8TLR7CYP1A2ADORA2AADORA1
SCHEMBL18638438 0.94 TLR8 (0.55) TLR8TLR7
SCHEMBL18109480 0.84 TLR8 (0.62) TLR8TLR7CYP1A2ADORA2AADORA1
SCHEMBL18109482 0.84 TLR8 (0.62) TLR8TLR7CYP1A2ADORA2AADORA1
SCHEMBL18109308 0.82 TLR8 (0.64) TLR8TLR7
SCHEMBL18109312 0.82 TLR8 (0.64) TLR8TLR7
SCHEMBL18109514 0.81 TLR8 (0.65) TLR8TLR7
SCHEMBL18109517 0.81 TLR8 (0.65) TLR8TLR7
SCHEMBL18664303 0.76 TLR8 (0.67) TLR8TLR7
SCHEMBL18109268 0.75 TLR8 (0.65) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 — — 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-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TLR8 1/4885TLR7 4/4885CYP1A2 4555/4885

“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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