SCHEMBL18124768

SCHEMBL18124768

CC(F)CCC(CO)Nc1nc(N)nc2cccnc12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 17/20 0.79
▸ TLR7 Q9NYK1 8/20 0.79
▸ KCNH2 Q12809 3/20 0.46

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
SCHEMBL20145341 1.00 TLR8 (0.79) TLR8TLR7KCNH2
SCHEMBL18109694 1.00 TLR8 (0.79) TLR8TLR7KCNH2
SCHEMBL18109615 0.91 TLR8 (0.82) TLR8TLR7KCNH2
SCHEMBL18109612 0.91 TLR8 (0.82) TLR8TLR7KCNH2
SCHEMBL18109279 0.88 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109277 0.88 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18124727 0.88 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109625 0.87 TLR8 (0.83) TLR8TLR7KCNH2
SCHEMBL18109379 0.85 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109380 0.85 TLR8 (1.00) TLR8TLR7KCNH2

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-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-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
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 (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-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4348/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TLR8 1/4885TLR7 4/4885KCNH2 4796/4885

“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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