SCHEMBL239970

SCHEMBL239970

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.46
ADORA1 P30542 4/20 0.46
ADORA2A P29274 4/20 0.46
HSP90B1 P14625 4/20 0.45
AHCY P23526 3/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PNP P00491 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL1401971 0.84 ADORA2A (0.64) ADORA3ADORA1ADORA2ASMN1; SMN2
SCHEMBL12003130 0.84 ADORA2A (0.64) ADORA3ADORA1ADORA2ASMN1; SMN2
SCHEMBL1402099 0.84 ADORA3 (0.43) ADORA3ADORA1ADORA2A
SCHEMBL1402080 0.81 ADORA2A (0.53) ADORA3ADORA1ADORA2A
SCHEMBL3891540 0.81 NT5E (0.38) ADORA3ADORA1ADORA2A
SCHEMBL3005772 0.80 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL1402045 0.80 ADORA3 (0.57) ADORA3ADORA1ADORA2A
SCHEMBL2089236 0.80 ADORA3 (0.57) ADORA3ADORA1ADORA2A
SCHEMBL4110160 0.80 DNMT1 (0.39) ADORA3ADORA1ADORA2A
SCHEMBL1412050 0.79 ADORA1 (0.53) ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322525-B1 Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
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-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US 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 (5 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA3 795/4885ADORA1 1271/4885ADORA2A 2741/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA1 2/4885ADORA2A 1/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA3 795/4885ADORA1 1271/4885ADORA2A 2741/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA3 795/4885ADORA1 1271/4885ADORA2A 2741/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA3 795/4885ADORA1 1271/4885ADORA2A 2741/4885

“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.