SCHEMBL15898757

SCHEMBL15898757

COc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC2[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.39
▸ SLC29A1 Q99808 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ STING1 Q86WV6 4/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ ADORA3 P0DMS8 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL10238971 1.00 ACHE (0.39) ACHESLC29A1TAS1R3TAS1R1PDE4A
SCHEMBL15763413 0.92 ACHE (0.38) ACHESLC29A1TAS1R3TAS1R1PDE4A
SCHEMBL10238969 0.91 ACHE (0.40) ACHESLC29A1TAS1R3TAS1R1PDE4A
SCHEMBL13030114 0.90 ACHE (0.48) ACHESLC29A1TAS1R3TAS1R1PDE4A
SCHEMBL15763458 0.88 SLC29A1 (0.38) ACHESLC29A1TAS1R3TAS1R1PDE4A
SCHEMBL10238977 0.88 ACHE (0.36) ACHESLC29A1TAS1R3TAS1R1ADORA3
SCHEMBL10238968 0.86 SLC29A1 (0.39) SLC29A1STING1PDE3BPDE3AADORA2A
SCHEMBL15898972 0.86 ACHE (0.37) ACHESLC29A1TAS1R3TAS1R1PDE4A
SCHEMBL15837352 0.85 RXFP1 (0.37) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL19827872 0.83 ACHE (0.41) ACHEPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156872-B2 2′-azido substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-13 — — US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 — — US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 — — 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 (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-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 ACHE 4358/4885SLC29A1 2/4885TAS1R3 1989/4885

“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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