SCHEMBL4926264

SCHEMBL4926264

Nc1nc(C(=O)NCc2cccc(CC(NC(=O)O)c3ccccc3)n2)cc(-c2ccco2)n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.69
ADORA1 P30542 20/20 0.69
ADORA3 P0DMS8 14/20 0.68
ADORA2B P29275 14/20 0.68

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
SCHEMBL4919458 0.85 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929014 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929576 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL930816 0.80 ADORA2A (0.82) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL928967 0.80 ADORA2A (0.81) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL928981 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4926241 0.79 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4919469 0.79 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL928097 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929166 0.78 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist VERNALIS (R&D) LTD. (GB) 2008-07-31 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 (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-20080182860-A1 Pyrimidine Compounds as Purine Receptor Antagonist ADORA3, P2RY10, ADORA2A ADORA2A 3/4885ADORA1 4/4885ADORA3 1/4885

“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.