SCHEMBL4564669

SCHEMBL4564669

C=CCc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(-n3nccn3)n(C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.51
ADORA1 P30542 15/20 0.51
ADORA2B P29275 5/20 0.51
ADORA3 P0DMS8 1/20 0.38
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C8 P10632 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13866479 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL13866480 0.82 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL13866481 0.80 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL4564902 0.77 CDK1 (0.46) CYP3A4ALOX15TSHRMAPK1KDM4E
SCHEMBL716062 0.77 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL4564695 0.75 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3
SCHEMBL409917 0.72 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL407814 0.72 CCNE2 (0.43) ADORA2AADORA1ADORA2BADORA3
SCHEMBL13866478 0.68 ADORA2A (0.44) ADORA2AADORA1ADORA2BCYP3A4ALOX15
SCHEMBL4454079 0.68 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.