SCHEMBL13975800

SCHEMBL13975800

CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(F)cc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.63
▸ TLR8 Q9NR97 7/20 0.57
▸ TLR7 Q9NYK1 3/20 0.57
▸ CYP2D6 P10635 2/20 0.55
▸ DRD1 P21728 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ ADORA1 P30542 1/20 0.55

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
SCHEMBL18605999 1.00 KCNH2 (0.63) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL30608946 0.93 TLR8 (0.67) KCNH2TLR8TLR7
SCHEMBL18109655 0.93 TLR8 (0.67) KCNH2TLR8TLR7
SCHEMBL18109656 0.93 TLR8 (0.67) KCNH2TLR8TLR7
SCHEMBL19723035 0.91 KCNH2 (0.58) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975711 0.85 KCNH2 (0.85) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975710 0.85 KCNH2 (0.85) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL19723066 0.85 KCNH2 (0.85) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975548 0.83 CYP2D6 (0.61) KCNH2TLR8TLR7CYP2D6DRD1
SCHEMBL13975543 0.83 KCNH2 (0.65) KCNH2TLR8TLR7CYP2D6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-07-14 — — US 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-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2019-09-19 — — US disclosed
US-10285990-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2019-05-14 — — US disclosed
US-20180263985-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2018-09-20 — — US disclosed
EP-3321265-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 — — EP disclosed
EP-3097102-B1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS GILEAD SCIENCES INC (US) 2017-10-18 — — EP disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 — — US disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 — — US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 — — US 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
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 — — 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
US-8916575-B2 Quinazoline derivatives for the treatment of viral infections and further diseases JANSSEN R&D IRELAND (IE) 2014-12-23 — — US disclosed
US-8916575-B2 Quinazoline derivatives for the treatment of viral infections and further diseases JANSSEN R&D IRELAND (IE) 2014-12-23 — — US disclosed
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-03-13 — — US disclosed
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-03-13 — — US disclosed
WO-2012156498-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2012-11-22 — — 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 (8 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 KCNH2 4348/4885TLR8 1/4885TLR7 9/4885
US-20180263985-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 KCNH2 4796/4885TLR8 1/4885TLR7 4/4885
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TLR3, TLR5, TLR4 KCNH2 2625/4885TLR8 9/4885TLR7 6/4885
US-10285990-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 KCNH2 4348/4885TLR8 1/4885TLR7 9/4885
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 KCNH2 4348/4885TLR8 1/4885TLR7 9/4885
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 KCNH2 4348/4885TLR8 1/4885TLR7 9/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 KCNH2 4348/4885TLR8 1/4885TLR7 9/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 KCNH2 4796/4885TLR8 1/4885TLR7 4/4885

“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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