SCHEMBL18109645

SCHEMBL18109645

CCCC[C@](C)(CO)Nc1nc(N)nc2cc(N)cnc12

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 17/20 0.82
▸ TLR7 Q9NYK1 6/20 0.69
▸ NLRP3 Q96P20 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35

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
SCHEMBL18109647 1.00 TLR8 (0.82) TLR8TLR7NLRP3KCNH2
Selgantolimod SCHEMBL29368858 0.89 TLR8 (1.00) TLR8TLR7NLRP3KCNH2
Selgantolimod SCHEMBL31141439 0.89 TLR8 (1.00) TLR8TLR7NLRP3KCNH2
SCHEMBL18109451 0.89 TLR8 (1.00) TLR8TLR7NLRP3KCNH2
SCHEMBL18109449 0.89 TLR8 (1.00) TLR8TLR7NLRP3KCNH2
Selgantolimod SCHEMBL18109405 0.89 TLR8 (1.00) TLR8TLR7NLRP3KCNH2
Selgantolimod SCHEMBL18109719 0.89 TLR8 (1.00) TLR8TLR7NLRP3KCNH2
Selgantolimod SCHEMBL18109408 0.89 TLR8 (1.00) TLR8TLR7NLRP3KCNH2
SCHEMBL21611722 0.89 TLR8 (0.78) TLR8TLR7KCNH2
Selgantolimod SCHEMBL22558518 0.88 TLR8 (0.98) TLR8TLR7NLRP3KCNH2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377100-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2025-08-05 — — US disclosed
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-09-29 — — US disclosed
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-07-14 — — US disclosed
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-07-14 — — US disclosed
CN-112174960-A Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds 吉利德科学公司 2021-01-05 — — CN disclosed
WO-2020255038-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
CN-107108615-B Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds 吉利德科学公司 2020-11-20 — — CN disclosed
EP-3722297-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2020-10-14 — — EP disclosed
EP-3722297-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2020-10-14 — — EP disclosed
EP-3321265-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES INC (US) 2020-05-06 — — EP disclosed
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-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 — — US disclosed
WO-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 — — WO disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 — — US disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 — — US disclosed
EP-3097102-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2016-11-30 — — EP disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 — — US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 — — 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 (5 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-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885NLRP3 49/4885
US-12377100-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885NLRP3 49/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885NLRP3 49/4885
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES HAVCR2, ENTPD5, HMGB3 TLR8 158/4885TLR7 60/4885NLRP3 464/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TLR8 1/4885TLR7 4/4885NLRP3 67/4885

“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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