SCHEMBL13005683

SCHEMBL13005683

C[C@]1(O)C(n2cc(I)c3c(N)nc(N)nc32)O[C@H](CO)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.51
▸ ADA P00813 1/20 0.45
▸ ADK P55263 7/20 0.39
▸ ADORA3 P0DMS8 8/20 0.39
▸ ADORA1 P30542 5/20 0.39
▸ ADORA2B P29275 4/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL3292590 1.00 ADORA2A (0.51) ADORA2AADAADKADORA3ADORA1
SCHEMBL13068434 0.90 ADORA2A (0.50) ADORA2AADAADKADORA3ADORA1
SCHEMBL13005687 0.89 ADORA2A (0.52) ADORA2AADAADKADORA3ADORA1
SCHEMBL13725495 0.88 ADORA2A (0.48) ADORA2AADAADKADORA3ADORA1
SCHEMBL5006780 0.87 ADORA2A (0.51) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL13021352 0.85 ADORA2A (0.65) ADORA2AADKADORA3ADORA1ADORA2B
SCHEMBL15241432 0.85 ADORA2A (0.65) ADORA2AADKADORA3ADORA1ADORA2B
SCHEMBL2786078 0.85 ADORA2A (0.65) ADORA2AADKADORA3ADORA1ADORA2B
SCHEMBL13091999 0.85 ADORA2A (0.65) ADORA2AADKADORA3ADORA1ADORA2B
SCHEMBL13650003 0.85 ADORA2A (0.65) ADORA2AADKADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311684-A1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-12-09 — — US disclosed
US-20100311684-A1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-12-09 — — US disclosed
EP-1660511-B1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENT MANAGEMENT (AU) 2010-11-03 — — EP disclosed
US-7713941-B2 Tricyclic nucleosides or nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-05-11 — — US disclosed
US-7713941-B2 Tricyclic nucleosides or nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-05-11 — — US disclosed
US-20080200423-A1 Novel Tricyclic Nucleosides or Nucleotides as Therapeutic Agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-08-21 — — US disclosed
US-20080200423-A1 Novel Tricyclic Nucleosides or Nucleotides as Therapeutic Agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-08-21 — — US disclosed
US-7268119-B2 Tricyclic nucleosides or nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-09-11 — — US disclosed
US-7268119-B2 Tricyclic nucleosides or nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-09-11 — — US disclosed
US-20070135363-A1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA, INC. (US) 2007-06-14 — — US disclosed
US-20070135363-A1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA, INC. (US) 2007-06-14 — — 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 (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-20070135363-A1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, NME1, NME2 ADORA2A 166/4885ADA 61/4885ADK 119/4885
US-20080200423-A1 Novel Tricyclic Nucleosides or Nucleotides as Therapeutic Agents NME1, NME2, NTPCR ADORA2A 342/4885ADA 85/4885ADK 203/4885
US-20100311684-A1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, NME1, NME2 ADORA2A 166/4885ADA 61/4885ADK 119/4885

“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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