SCHEMBL589404

SCHEMBL589404

CCc1nnn([C@@H]2C=C[C@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.49
ADORA1 P30542 8/20 0.49
ADORA2A P29274 5/20 0.49
ADORA2B P29275 3/20 0.41
CDK1 P06493 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
SCHEMBL1415176 0.85 ADORA2A (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4668103 0.85 ADORA2A (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5225967 0.85 ADORA2A (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1415177 0.85 ADORA2A (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL589466 0.85 ADORA2A (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL589387 0.81 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL589029 0.80 LMNA (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1412441 0.80 LMNA (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL590069 0.80 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2BCDK1
SCHEMBL2812121 0.79 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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-2018388-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP 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
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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 (3 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 2/4885ADORA1 3/4885ADORA2A 1/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA3 1044/4885ADORA1 697/4885ADORA2A 1137/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA1 2/4885ADORA2A 1/4885

“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.