SCHEMBL6229115

SCHEMBL6229115

CC1(C)O[C@@H]2[C@H](O1)[C@H](n1cnc3c(Nc4ccc(Cl)cc4F)ncnc31)O[C@@H]2c1nnc(C(C)(C)C)o1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.54
ADORA1 P30542 10/20 0.54
ADORA2A P29274 9/20 0.54
ADORA2B P29275 5/20 0.54
PRMT5 O14744 4/20 0.37
WDR77 Q9BQA1 4/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL6229111 1.00 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL5534004 1.00 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6253348 1.00 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL7192949 0.95 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6561807 0.91 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6561812 0.91 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6935807 0.87 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6250937 0.87 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6696560 0.87 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL29384676 0.87 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222178-A1 Process SHIPTON MARK 2005-10-06 US claimed
EP-1513858-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLYL SUBSTITUTED ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-03-16 EP claimed
WO-2003106475-A2 PROCESS GLAXO GROUP LIMITED (GB) 2003-12-24 WO claimed
US-20050222178-A1 Process SHIPTON MARK 2005-10-06 US disclosed
EP-1513858-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLYL SUBSTITUTED ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-03-16 EP disclosed
EP-1239882-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
US-20040180908-A1 Adenosine derivative in polymorph ii form GLAXO GROUP LIMITED (GB) 2004-09-16 US disclosed
US-20040162297-A1 Adenosine derivative in polymorph I form GLAXO GROUP LIMITED (GB) 2004-08-19 US disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed
WO-2004055032-A1 ADENOSINE DERIVATIVE IN POLYMORPH V FORM GLAXO GROUP LIMITED (GB) 2004-07-01 WO disclosed
EP-1239879-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2002-09-18 EP disclosed
WO-2001045714-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045682-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045685-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045715-A2 COMBINATIONS OF AN ADENOSINE A1 AGONIST WITH AN OPIOID AND THEIR USE IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045683-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045686-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 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-20050222178-A1 Process P2RY4, ADORA2A, ADORA2B ADORA3 4/4885ADORA1 18/4885ADORA2A 2/4885
US-20040162297-A1 Adenosine derivative in polymorph I form ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ADORA1 11/4885ADORA2A 1/4885
US-20040180908-A1 Adenosine derivative in polymorph ii form ADORA2A, NT5C2, AMPD2 ADORA3 6/4885ADORA1 42/4885ADORA2A 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.