SCHEMBL19940723

SCHEMBL19940723

CCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 19/20 0.73
▸ TLR7 Q9NYK1 7/20 0.64
▸ 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
SCHEMBL19940905 1.00 TLR8 (0.73) TLR8TLR7ADORA3ADORA2AADORA2B
SCHEMBL18125191 0.94 TLR8 (0.74) TLR8TLR7
SCHEMBL18125210 0.94 TLR8 (0.74) TLR8TLR7
SCHEMBL18109697 0.93 TLR8 (0.74) TLR8TLR7
SCHEMBL18109696 0.93 TLR8 (0.74) TLR8TLR7
SCHEMBL19940724 0.92 TLR8 (0.75) TLR8TLR7
SCHEMBL19940930 0.92 TLR8 (0.75) TLR8TLR7
SCHEMBL22368550 0.88 TLR8 (0.55) TLR8TLR7
SCHEMBL19991818 0.88 TLR8 (0.55) TLR8TLR7
SCHEMBL19940947 0.88 TLR8 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 — — EP disclosed
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 — — EP disclosed
US-10640499-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2020-05-05 — — US disclosed
US-10640499-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2020-05-05 — — US disclosed
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
WO-2018045150-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. (US) 2018-03-08 — — 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-10640499-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885ADORA3 738/4885
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885ADORA3 779/4885

“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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