SCHEMBL4229401

SCHEMBL4229401

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccc(O)cc5)c5ccc(O)cc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.72
ADORA2A P29274 19/20 0.72
ADORA1 P30542 19/20 0.72
ADORA2B P29275 17/20 0.72

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
SCHEMBL2807734 1.00 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3906064 0.95 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1415376 0.95 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1415378 0.95 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4227112 0.93 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2808440 0.92 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL10156565 0.88 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4006764 0.87 ADORA3 (0.65) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2805185 0.87 ADORA3 (0.65) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL10156540 0.86 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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 (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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 3/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ADORA3 545/4885ADORA2A 2314/4885ADORA1 838/4885

“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.