SCHEMBL589503

SCHEMBL589503

CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCCc5ccccc5)nc(N[C@@H]5CCNC5)nc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.59
ADORA3 P0DMS8 6/20 0.54
ADORA1 P30542 1/20 0.50
PGK1 P00558 3/20 0.43
PGK2 P07205 3/20 0.43
CCNE2 O96020 2/20 0.41
CCNA2 P20248 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41

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
SCHEMBL589504 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL590983 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL592302 0.87 ADORA2A (0.69) ADORA2AADORA3ADORA1
SCHEMBL592303 0.87 ADORA2A (0.69) ADORA2AADORA3ADORA1
SCHEMBL590768 0.85 ADORA2A (0.54) ADORA2AADORA3ADORA1CDK2
SCHEMBL590767 0.85 ADORA2A (0.54) ADORA2AADORA3ADORA1CDK2
SCHEMBL588981 0.83 ADORA2A (0.78) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL591697 0.83 ADORA2A (0.61) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL589415 0.82 ADORA2A (0.85) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL589515 0.81 ADORA2A (0.73) ADORA2AADORA3ADORA1PGK1PGK2

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 2/4885ADORA1 3/4885
US-20080207648-A1 Organic Compounds 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.