SCHEMBL1398989

SCHEMBL1398989

Nc1nc(Oc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 1.00
▸ ADORA2B P29275 11/20 1.00
▸ ADORA3 P0DMS8 4/20 0.75
▸ ADORA1 P30542 4/20 0.75

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
SCHEMBL1398987 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5492996 0.87 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5493006 0.87 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115464 0.86 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115461 0.86 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13084540 0.86 ADORA2A (0.75) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2775059 0.86 ADORA2A (0.75) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2291656 0.85 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115549 0.85 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL30862346 0.85 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906518-B2 [(3aR,4R,6R,6aR)-6-(6-amino-2-methoxy-9H-purin-9yl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol; improved oral absorption CBT DEVELOPMENT LIMITED (GB) 2011-03-15 — — US disclosed
EP-2066685-B1 NOVEL 2',3'-METHYLIDENE ACETYL ADENOSINE PRODRUGS FOR USE AS PRODRUGS FOR ADENOSINE RECEPTOR AGONISTS CBT DEV LTD (GB) 2011-03-02 — — EP disclosed
US-7820811-B2 Pro-drugs of adenosine receptor agonists CBT DEVELOPMENT LIMITED (GB) 2010-10-26 — — US disclosed
EP-2081932-A2 2-O'-METHYLADENOSINE DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS OF AN ADENOSINE RECEPTOR BIOVITRUM AB (publ) (SE) 2009-07-29 — — EP disclosed
EP-2066685-A2 NOVEL 2',3'-METHYLIDENE ACETYL ADENOSINE PRODRUGS FOR USE AS PRODRUGS FOR ADENOSINE RECEPTOR AGONISTS BIOVITRUM AB (publ) (SE) 2009-06-10 — — EP disclosed
US-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 — — US disclosed
US-20080027081-A1 Therapeutic compounds BIOVITRUM AB (PUBL) 2008-01-31 — — US disclosed
US-20080009461-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-01-10 — — US disclosed
WO-2008000744-A2 2-0'-METHYLADEN0SINE DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS OF AN ADENOSINE RECEPTOR BIOVITRUM AB (PUBL) (SE) 2008-01-03 — — WO disclosed
WO-2008000743-A2 NOVEL 2',3'-METHYLIDENE ACETYL ADENOSINE PRODRUGS FOR USE AS PRODRUGS FOR ADENOSINE RECEPTOR AGONISTS BIOVITRUM AB (PUBL) (SE) 2008-01-03 — — WO disclosed
EP-1749016-A2 ADENOSINE RECEPTOR AGONISTS Cambridge Biotechnology Ltd (GB) 2007-02-07 — — EP disclosed
WO-2005084653-A2 ADENOSINE RECEPTOR AGONISTS CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2005-09-15 — — 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 (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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes ADORA3, ADORA2B, P2RX3 ADORA2A 9/4885ADORA2B 2/4885ADORA3 1/4885
US-20080009461-A1 Therapeutic compounds ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA2B 2/4885ADORA3 4/4885
US-20080027081-A1 Therapeutic compounds ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA2B 3/4885ADORA3 2/4885

“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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