SCHEMBL3016041

SCHEMBL3016041

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCOCC4)nc(NN)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.52
ADORA3 P0DMS8 15/20 0.52
ADORA1 P30542 5/20 0.43

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
SCHEMBL3017909 0.88 ADORA3 (0.52) ADORA2AADORA3ADORA1
SCHEMBL3026662 0.85 ADORA1 (0.54) ADORA2AADORA3ADORA1
SCHEMBL3022452 0.81 ADORA3 (0.56) ADORA2AADORA3ADORA1
SCHEMBL3030349 0.81 ADORA1 (0.56) ADORA2AADORA3ADORA1
SCHEMBL3030361 0.81 ADORA1 (0.56) ADORA2AADORA3ADORA1
SCHEMBL3026443 0.80 ADORA3 (0.57) ADORA2AADORA3ADORA1
SCHEMBL10156429 0.80 ADORA2A (0.75) ADORA2AADORA3ADORA1
SCHEMBL242489 0.79 ADORA2A (0.74) ADORA2AADORA3ADORA1
SCHEMBL242951 0.79 ADORA2A (0.74) ADORA2AADORA3ADORA1
SCHEMBL10156671 0.79 ADORA3 (0.54) ADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885

“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.