SCHEMBL589452

SCHEMBL589452

Cc1cnn([C@H]2C[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](OC(=O)C(F)(F)F)[C@@H]2O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.46
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.42
HSP90B1 P14625 4/20 0.40
HSP90AA1 P07900 2/20 0.40
NT5E P21589 3/20 0.39
CHKA P35790 1/20 0.39
PNP P00491 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CD99 P14209 1/20 0.38

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
SCHEMBL589451 0.97 ADORA3 (0.46) ADORA3ADORA2AADORA1HSP90B1HSP90AA1
Trifluoroacetic Acid SCHEMBL589450 0.88 ADORA3 (0.56) ADORA3ADORA2AADORA1HSP90B1HSP90AA1
SCHEMBL588607 0.84 ADORA2A (0.47) ADORA3ADORA2AADORA1
SCHEMBL592233 0.83 ADORA2A (0.54) ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL5201758 0.83 ADORA3 (0.49) ADORA3ADORA2AADORA1HSP90B1HSP90AA1
SCHEMBL293708 0.83 ADORA3 (0.49) ADORA3ADORA2AADORA1HSP90B1HSP90AA1
SCHEMBL242558 0.83 ADORA3 (0.49) ADORA3ADORA2AADORA1HSP90B1HSP90AA1
SCHEMBL589378 0.82 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL293709 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA1HSP90B1HSP90AA1
SCHEMBL5201762 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA1HSP90B1HSP90AA1

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 ADORA3 2/4885ADORA2A 1/4885ADORA1 3/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA1 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.