SCHEMBL8354053

SCHEMBL8354053

Cn1c(-n2nccn2)nc2c(N)nccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 1.00
ADORA1 P30542 16/20 1.00
ADORA2B P29275 6/20 1.00
ADORA3 P0DMS8 1/20 0.44
TLR7 Q9NYK1 1/20 0.36
MMP12 P39900 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
SCHEMBL4458405 0.80 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3790456 0.77 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL4462539 0.75 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4461641 0.69 ADORA2A (0.52) ADORA2AADORA1ADORA2B
SCHEMBL4464772 0.69 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL14629870 0.68 JAK2 (0.56) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL13866482 0.66 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6877790 0.66 KDM4E (0.53) ADORA2AADORA1ADORA2B
SCHEMBL14844681 0.65 ADORA2A (0.47) ADORA2AADORA1ADORA2B
SCHEMBL30886184 0.65 PI4KA (0.50) ADORA2AADORA1ADORA2B

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 6 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-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
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
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 (1 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

“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.