SCHEMBL1402142

SCHEMBL1402142

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(N4CC[C@@H](N)C4)nc32)[C@H](OC(=O)C(F)(F)F)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.40
ADORA3 P0DMS8 5/20 0.40
ADORA1 P30542 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK1 P06493 1/20 0.37
CDK5 Q00535 1/20 0.37
CSNK1E P49674 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CDK7 P50613 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL243105 0.92 ADORA2A (0.40) ADORA2AADORA3ADORA1CDK1CDK5
Trifluoroacetic Acid SCHEMBL1402140 0.90 ADORA2A (0.44) ADORA2AADORA3ADORA1CCNE2CCNA2
SCHEMBL1402065 0.90 ADORA2A (0.37) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL2089234 0.86 ADORA3 (0.55) ADORA2AADORA3ADORA1
SCHEMBL1402042 0.86 ADORA3 (0.55) ADORA2AADORA3ADORA1
SCHEMBL4111351 0.86 ADORA2A (0.38) ADORA2AADORA3ADORA1CCNE2CCNA2
SCHEMBL1402108 0.86 ADORA2A (0.48) ADORA2AADORA3ADORA1CCNE2CCNA2
SCHEMBL4111499 0.85 ADORA2A (0.48) ADORA2AADORA3ADORA1CCNE2CCNA2
SCHEMBL4131726 0.85 CCNE1 (0.45) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL1402020 0.85 ADORA2A (0.47) ADORA2AADORA3ADORA1CCNE2CCNA2

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 3/4885ADORA1 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.