SCHEMBL2458424

SCHEMBL2458424

CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.79
ADORA2A P29274 3/20 0.71
ADORA2B P29275 1/20 0.69
ADORA1 P30542 1/20 0.69

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
SCHEMBL2458421 1.00 ADORA3 (0.79) ADORA3ADORA2AADORA2BADORA1
SCHEMBL2463062 0.92 ADORA3 (0.85) ADORA3ADORA2AADORA1
SCHEMBL2463074 0.92 ADORA3 (0.85) ADORA3ADORA2AADORA1
SCHEMBL28769810 0.90 ADORA3 (0.93) ADORA3ADORA2AADORA2B
SCHEMBL11881369 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1
SCHEMBL11881402 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1
SCHEMBL2461486 0.89 ADORA3 (0.73) ADORA3ADORA2AADORA2B
SCHEMBL18089839 0.89 ADORA3 (0.73) ADORA3ADORA2AADORA2B
SCHEMBL10073439 0.89 ADORA3 (0.73) ADORA3ADORA2AADORA2B
SCHEMBL2461484 0.89 ADORA3 (0.73) ADORA3ADORA2AADORA2B

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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 US claimed
EP-1749016-A2 ADENOSINE RECEPTOR AGONISTS Cambridge Biotechnology Ltd (GB) 2007-02-07 EP claimed
WO-2005084653-A2 ADENOSINE RECEPTOR AGONISTS CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2005-09-15 WO claimed
CN-118772218-A Preparation method of alkyl thioether purine/alkyl thioether purine nucleoside 东南大学 2024-10-15 CN disclosed
EP-2364086-B1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC (US) 2016-09-14 EP disclosed
US-8575127-B2 Antithrombotic diadenosine tetraphosphates and related analogs GLSYNTHESIS INC. (US) 2013-11-05 US disclosed
US-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2011-10-20 US disclosed
EP-2364086-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS Glsynthesis Inc. (US) 2011-09-14 EP disclosed
WO-2010059215-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2010-05-27 WO disclosed
US-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 US 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 (2 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 ADORA3 1/4885ADORA2A 9/4885ADORA2B 2/4885
US-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GP6, P2RY6, PFKP ADORA3 59/4885ADORA2A 75/4885ADORA2B 132/4885

“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.