SCHEMBL3374939

SCHEMBL3374939

CC(=O)OC[C@H]1O[C@@H](n2cc3c4c(ncnc42)NC(=S)C=C3)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.32
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ PRKAG3 Q9UGI9 1/20 0.30
▸ PRKAG2 Q9UGJ0 1/20 0.30
▸ PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL3286137 1.00 XDH (0.32) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13005706 0.91 XDH (0.32) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3286359 0.91 XDH (0.32) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4014228 0.85 — —
SCHEMBL4018655 0.83 LMNA (0.32) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13005708 0.82 XDH (0.31) XDH
SCHEMBL4020116 0.80 LMNA (0.32) —
SCHEMBL13906749 0.80 LMNA (0.32) —
SCHEMBL3948809 0.80 LMNA (0.32) —
SCHEMBL13494110 0.79 ADK (0.38) XDHPRKAB2PRKAG1PRKAA2PRKAA1

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 13 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-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
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 XDH 2128/4885PRKAB2 529/4885PRKAG1 276/4885
US-20080200423-A1 Novel Tricyclic Nucleosides or Nucleotides as Therapeutic Agents NME1, NME2, NTPCR XDH 2168/4885PRKAB2 888/4885PRKAG1 486/4885
US-20100311684-A1 NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, NME1, NME2 XDH 2128/4885PRKAB2 529/4885PRKAG1 276/4885

“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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