SCHEMBL242801

SCHEMBL242801

COc1ccc(C(Nc2nc(Cl)nc3c2ncn3[C@H]2C=C[C@@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.37
ADORA3 P0DMS8 13/20 0.37
ADORA2A P29274 8/20 0.37
HTR2B P41595 3/20 0.37
TMIGD3 P0DMS9 2/20 0.37
HTR2C P28335 2/20 0.37
CYP2C9 P11712 1/20 0.37
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL293429 0.87 ADORA1 (0.32) ADORA1ADORA3ADORA2AHTR2BTMIGD3
SCHEMBL244277 0.87 ADORA1 (0.32) ADORA1ADORA3ADORA2AHTR2BTMIGD3
SCHEMBL243701 0.85 ADORA1 (0.41) ADORA1ADORA3ADORA2AHTR2BTMIGD3
SCHEMBL1401997 0.85 ADORA1 (0.41) ADORA1ADORA3ADORA2AHTR2BTMIGD3
SCHEMBL241801 0.82 ADORA3 (0.52) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4220375 0.82 ADORA3 (0.46) ADORA1ADORA3ADORA2AHTR2BTMIGD3
SCHEMBL240045 0.82 ADORA3 (0.46) ADORA1ADORA3ADORA2AHTR2BTMIGD3
SCHEMBL239530 0.80 LMNA (0.39) ADORA1ADORA3ADORA2AHTR2BTMIGD3
SCHEMBL1412358 0.80 ADORA1 (0.52) ADORA1ADORA3ADORA2A
SCHEMBL1401972 0.80 ADORA1 (0.49) ADORA1ADORA3ADORA2AHTR2BTMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322525-B1 Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2013-09-18 EP disclosed
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-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 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
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA1 1271/4885ADORA3 795/4885ADORA2A 2741/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA3 3/4885ADORA2A 1/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA1 1271/4885ADORA3 795/4885ADORA2A 2741/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA1 1271/4885ADORA3 795/4885ADORA2A 2741/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA1 1271/4885ADORA3 795/4885ADORA2A 2741/4885

“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.