SCHEMBL2089236

SCHEMBL2089236

CCCN(C(=O)C(F)(F)F)C1C[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.57
ADORA2A P29274 9/20 0.57
ADORA1 P30542 6/20 0.57
PPARD Q03181 1/20 0.44

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
SCHEMBL1402045 1.00 ADORA3 (0.57) ADORA3ADORA2AADORA1PPARD
SCHEMBL1402109 0.86 ADORA2A (0.49) ADORA3ADORA2AADORA1
SCHEMBL1402115 0.86 ADORA2A (0.47) ADORA3ADORA2AADORA1
SCHEMBL1402144 0.86 ADORA3 (0.42) ADORA3ADORA2AADORA1
SCHEMBL243106 0.85 ADORA2A (0.41) ADORA3ADORA2AADORA1
SCHEMBL1401998 0.84 ADORA2A (0.42) ADORA3ADORA2AADORA1
SCHEMBL1402064 0.84 ADORA2A (0.42) ADORA3ADORA2AADORA1
SCHEMBL3005772 0.84 ADORA3 (0.40) ADORA3ADORA2AADORA1
SCHEMBL1402099 0.83 ADORA3 (0.43) ADORA3ADORA2AADORA1
SCHEMBL242888 0.82 ADORA2A (0.50) ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ADORA3 3/4885ADORA2A 1/4885ADORA1 2/4885

“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.