SCHEMBL4564695

SCHEMBL4564695

C=CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.68
ADORA1 P30542 16/20 0.68
ADORA2B P29275 6/20 0.68
ADORA3 P0DMS8 1/20 0.64

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
St1535 SCHEMBL5362208 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4467979 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL406128 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL19463066 0.76 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4454079 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL409997 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL406715 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4464772 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4564669 0.75 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3
SCHEMBL13866482 0.72 ADORA2A (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528252-B2 Derivatives of triazoly-imidazopyridine useful as ligands of the adenosine A2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-05-05 US disclosed
US-20070249638-A1 Derivatives of triazoly-imidazopyridine and of the triazolypurines useful as ligands of the adenosine A2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-10-25 US disclosed
US-7230102-B2 Derivatives of triazolyl-imidazopyridine and of the triazolylpurines useful as ligandsof the adenosine a2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-06-12 US disclosed
EP-1412354-B1 DERIVATIVES OF TRIAZOLYL-IMIDAZOPYRIDINE AND OF THE TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A 2a? RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2006-05-10 EP disclosed
US-20040204428-A1 Derivatives of triazolyl-imidazopyridine and of the triazolylpurines useful as ligandsof the adenosine a2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-10-14 US disclosed
EP-1412354-A1 DERIVATIVES OF TRIAZOLYL-IMIDAZOPYRIDINE AND OF THE TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A 2a? RECEPTOR AND THEIR USE AS MEDICAMENTS Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-28 EP disclosed
WO-2003011864-A1 DERIVATIVES OF TRIAZOLYL-IMIDAZOPYRIDINE AND OF THE TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2a RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 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 (2 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-20070249638-A1 Derivatives of triazoly-imidazopyridine and of the triazolypurines useful as ligands of the adenosine A2a receptor and their use as medicaments ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 4/4885
US-20040204428-A1 Derivatives of triazolyl-imidazopyridine and of the triazolylpurines useful as ligandsof the adenosine a2a receptor and their use as medicaments ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA2B 4/4885

“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.