SCHEMBL1402033

SCHEMBL1402033

CCCN(C(=O)C(F)(F)F)[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N4CC[C@@H](NC(=O)Nc5cccs5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.39
ADORA3 P0DMS8 7/20 0.39
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37

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
SCHEMBL242977 0.91 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1
SCHEMBL241156 0.90 ADORA2A (0.40) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2090952 0.90 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL242180 0.90 ADORA2A (0.42) ADORA2AADORA3
SCHEMBL243678 0.89 ADORA2A (0.43) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1402121 0.89 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1
SCHEMBL242722 0.89 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL240204 0.89 ADORA2A (0.40) ADORA2AADORA3ADORA2BADORA1
SCHEMBL243058 0.89 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1402053 0.89 ADORA2A (0.40) 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 4 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-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 (1 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 3/4885ADORA2B 4/4885

“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.