SCHEMBL21693478

SCHEMBL21693478

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 8/20 0.50
▸ TLR8 Q9NR97 4/20 0.50
▸ KCNH2 Q12809 9/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CYP2D6 P10635 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL20025838 0.92 TLR7 (0.43) TLR7TLR8KCNH2TRPM8
SCHEMBL22825028 0.92 TLR7 (0.43) TLR7TLR8KCNH2TRPM8
SCHEMBL19663389 0.86 TLR7 (0.36) TLR7TLR8KCNH2TRPM8
SCHEMBL13195144 0.84 TLR7 (0.63) TLR7TLR8KCNH2CYP2D6DRD1
SCHEMBL17123639 0.84 TLR7 (0.51) TLR7TLR8KCNH2TRPM8CYP2D6
SCHEMBL19269139 0.84 TLR7 (0.63) TLR7TLR8KCNH2CYP2D6DRD1
SCHEMBL13195845 0.84 TLR7 (0.63) TLR7TLR8KCNH2CYP2D6DRD1
SCHEMBL20219548 0.84 KCNH2 (0.46) TLR7TLR8KCNH2CYP2D6DRD1
SCHEMBL13195751 0.77 CYP2D6 (0.56) TLR7TLR8KCNH2CYP2D6DRD1
SCHEMBL20219312 0.77 CYP2D6 (0.56) TLR7TLR8KCNH2CYP2D6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-10968184-B2 Pyrimidine prodrugs for the treatment of viral infections and further diseases TYMP, TYMS, PNP TLR7 1077/4885TLR8 1650/4885KCNH2 4008/4885
US-20200031779-A1 PYRIMIDINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TYMP, TYMS, PNP TLR7 1077/4885TLR8 1650/4885KCNH2 4008/4885

“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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