SCHEMBL21611722

SCHEMBL21611722

CCCCC(C)(CO)Nc1nc(N)nc2cc(Br)cnc12

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 18/20 0.78
▸ TLR7 Q9NYK1 7/20 0.67
▸ KCNH2 Q12809 2/20 0.36

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
SCHEMBL18109645 0.89 TLR8 (0.82) TLR8TLR7KCNH2
SCHEMBL18109647 0.89 TLR8 (0.82) TLR8TLR7KCNH2
SCHEMBL18109449 0.87 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL18109451 0.87 TLR8 (1.00) TLR8TLR7KCNH2
Selgantolimod SCHEMBL18109405 0.87 TLR8 (1.00) TLR8TLR7KCNH2
Selgantolimod SCHEMBL29368858 0.87 TLR8 (1.00) TLR8TLR7KCNH2
Selgantolimod SCHEMBL18109408 0.87 TLR8 (1.00) TLR8TLR7KCNH2
Selgantolimod SCHEMBL18109719 0.87 TLR8 (1.00) TLR8TLR7KCNH2
SCHEMBL23367234 0.87 TLR8 (0.64) TLR8TLR7
SCHEMBL21612967 0.87 TLR8 (0.64) TLR8TLR7

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
US-12162879-B2 Pyridopyrimidine derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2024-12-10 — — US disclosed
CN-115710266-A Pyridopyrimidine derivative, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-02-24 — — CN disclosed
CN-111094289-B Pyridopyrimidine derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-11-22 — — CN disclosed
EP-3822271-A1 PYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-05-19 — — EP disclosed
CN-111094289-A Pyridopyrimidine derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2020-05-01 — — CN disclosed
WO-2020007275-A1 PYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-01-09 — — WO disclosed
WO-2020007275-A1 PYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-01-09 — — 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 (1 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-12162879-B2 Pyridopyrimidine derivative, preparation method therefor and medical use thereof TLR8, TLR7, TLR1 TLR8 1/4885TLR7 2/4885KCNH2 3725/4885

“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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