SCHEMBL241802

SCHEMBL241802

NNc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3C[C@H](NC(=O)CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.65
ADORA3 P0DMS8 6/20 0.65
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL1830963 1.00 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL242489 0.93 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL242951 0.93 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2883240 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL241132 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL240011 0.85 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL238863 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1843512 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL293054 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1833797 0.84 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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 (4 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA2B 1829/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA2B 1829/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA2A 1137/4885ADORA3 1044/4885ADORA2B 123/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA2B 1829/4885

“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.