SCHEMBL13030114

SCHEMBL13030114

CC(=O)Nc1nc(Cl)c2ncn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]4[C@H]3O)c2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.48
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ SLC29A1 Q99808 1/20 0.38
▸ ADORA3 P0DMS8 6/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ STING1 Q86WV6 3/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL19827872 0.93 ACHE (0.41) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL18061767 0.93 ACHE (0.41) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL26026455 0.92 ACHE (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL13030115 0.90 ACHE (0.51) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL10238971 0.90 ACHE (0.39) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL15898757 0.90 ACHE (0.39) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL15763413 0.88 ACHE (0.38) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL15763458 0.88 SLC29A1 (0.38) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL13030116 0.87 NT5E (0.43) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL15850628 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 — — US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 — — US disclosed
US-9045520-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2015-06-02 — — US disclosed
US-9045520-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2015-06-02 — — US disclosed
US-8716263-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2014-05-06 — — US disclosed
US-8716263-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2014-05-06 — — US disclosed
US-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES GILEAD PHARMASSET LLC (US) 2012-12-13 — — US disclosed
US-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PHARMASSET, INC. (US) 2010-11-04 — — 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 (4 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-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP ACHE 3086/4885PDE4A 271/4885PDE4B 317/4885
US-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP ACHE 3086/4885PDE4A 271/4885PDE4B 317/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP ACHE 1045/4885PDE4A 1237/4885PDE4B 866/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP ACHE 1045/4885PDE4A 1237/4885PDE4B 866/4885

“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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