SCHEMBL20025838

SCHEMBL20025838

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 12/20 0.43
▸ TLR8 Q9NR97 8/20 0.42
▸ CDK1 P06493 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 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
SCHEMBL22825028 1.00 TLR7 (0.43) TLR7TLR8CDK1CDK5KCNH2
SCHEMBL21693478 0.92 TLR7 (0.50) TLR7TLR8KCNH2TRPM8
SCHEMBL19663389 0.85 TLR7 (0.36) TLR7TLR8KCNH2TRPM8P2RX3
SCHEMBL22805390 0.84 TLR7 (0.43) TLR7TLR8KCNH2TRPM8
SCHEMBL13195694 0.84 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL20219473 0.84 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL13195729 0.84 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL20219616 0.84 TLR7 (0.41) TLR7TLR8CDK1CDK5KCNH2
SCHEMBL21693513 0.82 TLR7 (0.42) TLR7TLR8KCNH2TRPM8
SCHEMBL29017316 0.82 TLR7 (0.42) TLR7TLR8KCNH2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519406-B1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-02-23 — — EP 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
WO-2018060317-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2018-04-05 — — 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 (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 1650/4885CDK1 545/4885
US-20200031779-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TYMP, TYMS, PNP TLR7 1077/4885TLR8 1650/4885CDK1 545/4885
US-20210214317-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TYMP, TYMS, PNP TLR7 1077/4885TLR8 1650/4885CDK1 545/4885

“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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