SCHEMBL19991825

SCHEMBL19991825

CCCCC(C)(CNC(C)=O)Nc1nc(N)nc2cc(CC)cnc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 15/20 0.59
▸ TLR7 Q9NYK1 8/20 0.50
▸ KCNH2 Q12809 3/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ PARP1 P09874 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32

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
SCHEMBL19940713 1.00 TLR8 (0.59) TLR8TLR7KCNH2HRH4HRH3
SCHEMBL22368542 0.91 TLR8 (0.60) TLR8TLR7KCNH2HRH4HRH3
SCHEMBL18923203 0.90 TLR8 (0.61) TLR8TLR7NLRP3
SCHEMBL18125192 0.90 TLR8 (0.61) TLR8TLR7NLRP3
SCHEMBL18109286 0.89 TLR8 (0.74) TLR8TLR7KCNH2NLRP3
SCHEMBL19940722 0.89 TLR8 (0.60) TLR8TLR7NLRP3
SCHEMBL19940969 0.89 TLR8 (0.60) TLR8TLR7NLRP3
SCHEMBL18109289 0.89 TLR8 (0.74) TLR8TLR7KCNH2NLRP3
SCHEMBL18109714 0.89 TLR8 (0.75) TLR8TLR7NLRP3
SCHEMBL18109715 0.89 TLR8 (0.75) TLR8TLR7NLRP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019517-A1 2-AMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Shanghai Zhimeng Biopharma, Inc. (CN) 2022-06-29 — — EP disclosed
WO-2021031960-A1 2-AMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 上海挚盟医药科技有限公司 2021-02-25 — — WO 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-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 — — 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-10640499-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4271/4885
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885TLR7 9/4885KCNH2 4399/4885

“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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