SCHEMBL589485

SCHEMBL589485

Cc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5c[nH]c6ccccc56)nc43)[C@H](OC(=O)C(F)(F)F)[C@@H]2O)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.47
ADORA3 P0DMS8 6/20 0.47
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL589484 0.98 ADORA2A (0.48) ADORA2AADORA3CCNE2CCNE1CDK2
Trifluoroacetic Acid SCHEMBL589483 0.92 ADORA2A (0.52) ADORA2AADORA3CCNE2CCNE1CDK2
SCHEMBL588944 0.89 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL589495 0.86 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL590746 0.85 ADORA2A (0.58) ADORA2AADORA3
SCHEMBL590961 0.83 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL588942 0.81 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL590581 0.80 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL590561 0.78 ADORA2A (0.58) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL590744 0.77 ADORA2A (0.64) ADORA2AADORA3

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 2/4885CCNE2 2913/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885CCNE2 1717/4885

“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.