SCHEMBL13396649

SCHEMBL13396649

CNc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/P(=O)(O)O)C[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.62
▸ ADORA2A P29274 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ ADORA1 P30542 3/20 0.51
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ YTHDC1 Q96MU7 1/20 0.46
▸ P2RY1 P47900 1/20 0.45
▸ SLC29A1 Q99808 1/20 0.43

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
SCHEMBL3316834 1.00 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1PDE4A
SCHEMBL3316851 1.00 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1PDE4A
SCHEMBL3313727 0.86 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL3313715 0.86 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL13396844 0.86 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL13396504 0.85 AHCY (0.53) ADORA1PDE4DP2RY1
SCHEMBL3320956 0.85 AHCY (0.53) ADORA1PDE4DP2RY1
SCHEMBL3317095 0.85 AHCY (0.53) ADORA1PDE4DP2RY1
SCHEMBL13415621 0.82 ADORA3 (0.44) ADORA3ADORA2AADORA2BADORA1PDE4A
SCHEMBL13415712 0.82 YTHDC1 (0.51) ADORA3ADORA2AADORA2BADORA1PDE4A

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-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — 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 (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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 ADORA3 462/4885ADORA2A 545/4885ADORA2B 873/4885

“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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