SCHEMBL239127

SCHEMBL239127

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
TMIGD3 P0DMS9 2/20 0.38
ADORA3 P0DMS8 11/20 0.37
ADORA1 P30542 5/20 0.37
ADORA2A P29274 1/20 0.37
AHCY P23526 2/20 0.36

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
SCHEMBL1401952 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1401951 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL12003121 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8960068 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3714471 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242481 0.93 LMNA (0.40) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13177712 0.91 HTR2C (0.38) HTR2CHTR2BTMIGD3ADORA3ADORA1
SCHEMBL4352873 0.91 LMNA (0.39) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13211904 0.89 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL10158794 0.86 ADORA3 (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 35 patents — showing the first 20. 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-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US 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-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 US disclosed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 US disclosed
WO-2009050198-A2 COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-23 WO disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
EP-2018382-A2 PURINE DERIVATIVES AS ADENOSINE RECEPTOR ACTIVATOR Novartis AG (CH) 2009-01-28 EP disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
EP-1903044-A1 Adenosine Derivatives as A2A Receptor Agonists Novartis AG (CH) 2008-03-26 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121917-A2 PURINE DERIVATIVES AS ADENOSINE RECEPTOR ACTIVATOR NOVARTIS AG (CH) 2007-11-01 WO 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 (3 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 LMNA 1663/4885TP53 4506/4885ALDH1A1 918/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885
US-20090181934-A1 Organic Compounds LTB4R2, LTA4H, LTB4R LMNA 2511/4885TP53 3430/4885ALDH1A1 749/4885

“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.