SCHEMBL2808436

SCHEMBL2808436

OCc1cnn([C@@H]2C=C[C@H](n3cnc4c(Cl)nc(Cl)nc43)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4D Q08499 2/20 0.36
PNP P00491 1/20 0.36
HTT P42858 1/20 0.36
PDE3A Q14432 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 11/20 0.36
ADORA1 P30542 6/20 0.36
ADORA2A P29274 4/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
NR1I2 O75469 1/20 0.35
ALB P02768 1/20 0.35
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34

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
SCHEMBL3808904 1.00 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3022156 0.81 ADORA2A (0.55) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL2806725 0.81 ADORA3 (0.49) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL3040267 0.77 PDE4D (0.55) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL30827047 0.77 PDE4D (0.55) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL4360551 0.76 LMNA (0.42) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242794 0.75 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8918687 0.75 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1412086 0.74 LMNA (0.38) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8960152 0.73 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2066669-B1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-09-15 EP disclosed
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 WO disclosed
EP-2044070-A1 PURINE DERIVATIVES AS A2A AGONISTS Novartis AG (CH) 2009-04-08 EP disclosed
EP-1903044-A1 Adenosine Derivatives as A2A Receptor Agonists Novartis AG (CH) 2008-03-26 EP disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP disclosed
WO-2008006563-A1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2008-01-17 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 LMNA 2449/4885TP53 4185/4885ALDH1A1 596/4885
US-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 LMNA 2590/4885TP53 3965/4885ALDH1A1 702/4885
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 LMNA 2569/4885TP53 3227/4885ALDH1A1 333/4885

“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.