SCHEMBL5376478

SCHEMBL5376478

CC(C)(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.64
ADORA1 P30542 3/20 0.63
ADORA3 P0DMS8 3/20 0.63
ADORA2A P29274 1/20 0.63
SLC29A1 Q99808 1/20 0.59
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL5376488 1.00 DOT1L (0.64) DOT1LADORA1ADORA3ADORA2ASLC29A1
SCHEMBL30898471 0.91 SLC29A1 (0.71) ADORA1ADORA3SLC29A1LMNATP53
SCHEMBL6662680 0.87 ADORA1 (0.66) DOT1LADORA1ADORA3ADORA2A
SCHEMBL6662687 0.87 ADORA1 (0.66) DOT1LADORA1ADORA3ADORA2A
SCHEMBL6660483 0.85 ADORA3 (0.62) ADORA1ADORA3ADORA2ARXFP1
SCHEMBL6660476 0.85 ADORA3 (0.62) ADORA1ADORA3ADORA2ARXFP1
SCHEMBL6660710 0.81 SLC29A1 (0.58) ADORA1ADORA3ADORA2ASLC29A1LMNA
SCHEMBL6688139 0.79 ADORA1 (0.62) DOT1LADORA1ADORA3ADORA2ASLC29A1
SCHEMBL9815315 0.79 ADORA1 (0.62) DOT1LADORA1ADORA3ADORA2ASLC29A1
SCHEMBL9815314 0.79 ADORA1 (0.62) DOT1LADORA1ADORA3ADORA2ASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP claimed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US claimed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP claimed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO claimed
US-7265111-B2 Adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-04 US disclosed
EP-1527083-A1 NOVEL ADENOSINE ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS Aventis Pharma Deutschland GmbH (DE) 2005-05-04 EP disclosed
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-20040127434-A1 Novel adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-07-01 US disclosed
WO-2004003002-A1 NOVEL ADENOSINE ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 WO disclosed
EP-1375508-A1 N6-substituted adenosine analogues and their use as pharmaceutical agents Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 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-20040127434-A1 Novel adenosine analogues and their use as pharmaceutical agents ADORA1, ADORA2A, ADORA2B DOT1L 4249/4885ADORA1 1/4885ADORA3 5/4885

“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.