SCHEMBL1401973

SCHEMBL1401973

O=C(CCc1ccccc1)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.69
ADORA3 P0DMS8 11/20 0.59
ADORA1 P30542 4/20 0.54
NT5E P21589 2/20 0.46
ADORA2B P29275 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
SCHEMBL1401984 0.93 ADORA2A (0.67) ADORA2AADORA3ADORA1NT5EADORA2B
SCHEMBL1401958 0.91 ADORA2A (0.69) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL241132 0.90 ADORA2A (0.60) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL239165 0.90 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1412300 0.90 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1412298 0.90 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1412152 0.90 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1844827 0.89 ADORA2A (0.57) ADORA2AADORA3ADORA1NT5E
SCHEMBL242820 0.89 ADORA2A (0.57) ADORA2AADORA3ADORA1NT5E
SCHEMBL238564 0.88 ADORA2A (0.60) ADORA2AADORA3ADORA1NT5EADORA2B

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
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 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-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885

“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.