SCHEMBL3548138

SCHEMBL3548138

Nc1nccc2nc(-c3ccco3)nn12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.63
ADORA1 P30542 3/20 0.58
ADORA2B P29275 2/20 0.58
ADORA3 P0DMS8 1/20 0.56

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
SCHEMBL6005902 0.82 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5653322 0.82 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL7152951 0.81 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6047213 0.81 ADORA2A (0.82) ADORA2A
SCHEMBL12612295 0.80 ADORA2A (0.68) ADORA2AADORA1ADORA2B
SCHEMBL19596873 0.80 ADORA2A (0.68) ADORA2A
SCHEMBL3541623 0.80 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6047246 0.80 ADORA2A (0.57) ADORA2AADORA1ADORA2B
SCHEMBL6047267 0.79 ADORA2A (0.74) ADORA2A
SCHEMBL3548828 0.79 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 US claimed
EP-1633756-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-03-15 EP claimed
WO-2004092173-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 US disclosed
US-7834014-B2 Parkinson's disease; [2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol; BIOGEN IDEC MA INC. (US) 2010-11-16 US disclosed
US-20090029967-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION 2009-01-29 US disclosed
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-7414058-B2 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION (US) 2008-08-19 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20070173505-A1 A2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-07-26 US disclosed
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION 2004-07-15 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-20070173505-A1 A2a adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA2B 4/4885
US-20090029967-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 8/4885ADORA2B 3/4885
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS ADORA2A, ADORA2B, ENTPD5 ADORA2A 1/4885ADORA1 4/4885ADORA2B 2/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 4/4885
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 8/4885ADORA2B 3/4885

“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.