SCHEMBL238290

SCHEMBL238290

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.65
ADORA3 P0DMS8 7/20 0.65
ADORA2B P29275 5/20 0.65
ADORA1 P30542 5/20 0.65

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
SCHEMBL4433192 1.00 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839105 0.92 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103371 0.92 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6835048 0.92 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4371461 0.92 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4371473 0.92 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7104798 0.92 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7106559 0.91 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4563810 0.91 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764372 0.90 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1

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
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 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 (5 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA2B 1829/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ADORA2A 2314/4885ADORA3 545/4885ADORA2B 1462/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA2B 1829/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA2B 1829/4885

“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.