SCHEMBL5364283

SCHEMBL5364283

CC(C)(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(F)(F)F)C(O)C1O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.59
ADORA3 P0DMS8 4/20 0.57
ADORA1 P30542 3/20 0.55
TYMP P19971 1/20 0.55

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
SCHEMBL5364270 1.00 DOT1L (0.59) DOT1LADORA3ADORA1TYMP
SCHEMBL6662994 0.89 ADORA3 (0.71) DOT1LADORA3ADORA1
SCHEMBL6663002 0.89 ADORA3 (0.71) DOT1LADORA3ADORA1
SCHEMBL6662680 0.87 ADORA1 (0.66) DOT1LADORA3ADORA1
SCHEMBL6662687 0.87 ADORA1 (0.66) DOT1LADORA3ADORA1
SCHEMBL21839554 0.83 NT5E (0.61) DOT1LADORA3
SCHEMBL7732676 0.83 SLC29A1 (0.55) ADORA3ADORA1
SCHEMBL7732691 0.83 TYMP (0.76) DOT1LADORA3ADORA1TYMP
SCHEMBL16554813 0.83 ADORA1 (0.71) DOT1LADORA3ADORA1
SCHEMBL7067739 0.83 ADORA1 (0.71) DOT1LADORA3ADORA1

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
EP-1027363-B1 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2003-06-04 EP claimed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP claimed
WO-1999024450-A2 ADENSINE 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
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-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024450-A2 ADENSINE 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 4249/4885ADORA3 5/4885ADORA1 1/4885

“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.