SCHEMBL18124804

SCHEMBL18124804

CCCC[C@H](CCO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.58
▸ TLR7 Q9NYK1 6/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ CYP2D6 P10635 3/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL18109499 0.94 TLR8 (0.57) TLR8TLR7KCNH2CYP2D6CYP1A2
SCHEMBL18109495 0.94 TLR8 (0.57) TLR8TLR7KCNH2CYP2D6CYP1A2
SCHEMBL18109518 0.92 TLR8 (0.58) TLR8TLR7KCNH2CYP2D6CYP1A2
SCHEMBL18109515 0.92 TLR8 (0.58) TLR8TLR7KCNH2CYP2D6CYP1A2
SCHEMBL24621625 0.91 TLR8 (0.58) TLR8TLR7KCNH2CYP2D6CYP1A2
SCHEMBL18124755 0.91 TLR8 (0.58) TLR8TLR7KCNH2CYP2D6CYP1A2
SCHEMBL18109512 0.90 TLR8 (0.55) TLR8TLR7CYP2D6DRD1HTR2A
SCHEMBL18109509 0.90 TLR8 (0.55) TLR8TLR7CYP2D6DRD1HTR2A
SCHEMBL18109450 0.88 TLR8 (0.44) TLR8TLR7CYP2D6CYP1A2CYP3A4
SCHEMBL18109452 0.88 TLR8 (0.44) TLR8TLR7CYP2D6CYP1A2CYP3A4

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 13 patents. 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-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-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
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-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 — — 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4348/4885
US-10285990-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4348/4885
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4348/4885
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4348/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4348/4885

“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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