SCHEMBL589029

SCHEMBL589029

CCc1nnn([C@@H]2C=C[C@H](n3cnc4c(Cl)nc(Cl)nc43)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
ADORA3 P0DMS8 13/20 0.36
ADORA1 P30542 11/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 9/20 0.34
ADORA2B P29275 4/20 0.34
PDE4D Q08499 2/20 0.32
PNP P00491 1/20 0.32
HTT P42858 1/20 0.32
PDE3A Q14432 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR1I2 O75469 1/20 0.31
ALB P02768 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31

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
SCHEMBL1412441 1.00 LMNA (0.39) LMNATP53ADORA3ADORA1ALDH1A1
SCHEMBL1412139 0.82 LMNA (0.38) LMNATP53ADORA3ADORA1ALDH1A1
SCHEMBL1412155 0.81 LMNA (0.44) LMNATP53ADORA3ADORA1ALDH1A1
SCHEMBL589404 0.80 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1412086 0.80 LMNA (0.38) LMNATP53ADORA3ADORA1ALDH1A1
SCHEMBL4360551 0.79 LMNA (0.42) LMNATP53ADORA3ADORA1ALDH1A1
SCHEMBL3026164 0.79 ADORA1 (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL8960152 0.76 LMNA (0.43) LMNATP53ADORA3ADORA1ALDH1A1
SCHEMBL242794 0.74 LMNA (0.49) LMNATP53ADORA3ADORA1ALDH1A1
SCHEMBL8918687 0.74 LMNA (0.49) LMNATP53ADORA3ADORA1ALDH1A1

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
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 WO disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (4 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 LMNA 4096/4885TP53 3423/4885ADORA3 2/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 LMNA 1496/4885TP53 778/4885ADORA3 1044/4885
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 LMNA 2449/4885TP53 4185/4885ADORA3 3/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 LMNA 3576/4885TP53 2956/4885ADORA3 3/4885

“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.