SCHEMBL21693513

SCHEMBL21693513

CCCC[C@H](CO)Nc1nc(N(C)C)ncc1OC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 11/20 0.42
▸ TLR8 Q9NR97 9/20 0.42
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ KCNH2 Q12809 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL29017316 1.00 TLR7 (0.42) TLR7TLR8TRPM8KCNH2KDM4E
SCHEMBL20219473 0.83 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL22805390 0.83 TLR7 (0.43) TLR7TLR8TRPM8KCNH2
SCHEMBL13195694 0.83 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL13195729 0.83 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL22825028 0.82 TLR7 (0.43) TLR7TLR8TRPM8KCNH2
SCHEMBL20025838 0.82 TLR7 (0.43) TLR7TLR8TRPM8KCNH2
SCHEMBL13195820 0.75 TLR8 (0.53) TLR7TLR8
SCHEMBL13195695 0.75 TLR8 (0.53) TLR7TLR8
SCHEMBL13195743 0.75 TLR8 (0.53) TLR7TLR8

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
CN-109790154-B Pyrimidine prodrugs for the treatment of viral infections and additional diseases 爱尔兰詹森科学公司 2023-06-23 — — CN disclosed
US-20210214317-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-07-15 — — US disclosed
US-10968184-B2 Pyrimidine prodrugs for the treatment of viral infections and further diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-04-06 — — US disclosed
WO-2020255035-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
US-20200031779-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-01-30 — — 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 (3 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-10968184-B2 Pyrimidine prodrugs for the treatment of viral infections and further diseases TYMP, TYMS, PNP TLR7 1077/4885TLR8 1650/4885TRPM8 2743/4885
US-20200031779-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TYMP, TYMS, PNP TLR7 1077/4885TLR8 1650/4885TRPM8 2743/4885
US-20210214317-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TYMP, TYMS, PNP TLR7 1077/4885TLR8 1650/4885TRPM8 2743/4885

“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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