SCHEMBL589258

SCHEMBL589258

CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccc(O)cc5)c5ccc(O)cc5)nc(N5CC[C@@H](NC(=O)OC(C)(C)C)C5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.38
ADORA3 P0DMS8 6/20 0.37
PDE10A Q9Y233 1/20 0.36
BTK Q06187 1/20 0.35
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL589259 1.00 ADORA2A (0.38) ADORA2AADORA3PDE10ABTKADORA2B
SCHEMBL2804739 0.95 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2804742 0.95 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2804736 0.95 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL14289845 0.95 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4639258 0.95 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL589844 0.93 ADORA2A (0.41) ADORA2AADORA3ADORA2BADORA1
SCHEMBL10155867 0.92 ADORA2A (0.41) ADORA2AADORA3ADORA2BADORA1
SCHEMBL10156343 0.92 ADORA2A (0.41) ADORA2AADORA3ADORA2BADORA1
SCHEMBL10156148 0.89 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885PDE10A 272/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885PDE10A 351/4885

“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.