SCHEMBL588981

SCHEMBL588981

CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCCc5ccccc5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.78
ADORA3 P0DMS8 3/20 0.78
ADORA1 P30542 1/20 0.54
CDK1 P06493 2/20 0.48
CDK5 Q00535 2/20 0.48
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
PGK1 P00558 3/20 0.46
PGK2 P07205 3/20 0.46
CDK2 P24941 3/20 0.43
CCNA2 P20248 2/20 0.43
CCNA1 P78396 2/20 0.43
CACNA1B Q00975 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 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
SCHEMBL589515 0.94 ADORA2A (0.73) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL591555 0.93 ADORA2A (0.84) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL591113 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL3258940 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL590747 0.88 ADORA2A (1.00) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL589834 0.87 ADORA2A (0.77) ADORA2AADORA3ADORA1
SCHEMBL589213 0.85 ADORA2A (0.74) ADORA2AADORA3ADORA1
SCHEMBL591697 0.84 ADORA2A (0.61) ADORA2AADORA3ADORA1PGK1PGK2
SCHEMBL590153 0.84 ADORA2A (0.72) ADORA2AADORA3ADORA1CDK1CDK2
SCHEMBL589504 0.83 ADORA2A (0.59) 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.