SCHEMBL357853

SCHEMBL357853

CN1CC[C@@H](NC(=O)NCc2ccccn2)C1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
P2RX7 Q99572 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SSTR4 P31391 2/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
SHMT2 P34897 1/20 0.47

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
SCHEMBL14391516 1.00 HPGD (0.50) HPGDALDH1A1RECQLP2RX7RAB9A
SCHEMBL4975797 0.93 ALDH1A1 (0.52) HPGDALDH1A1RECQLP2RX7RAB9A
SCHEMBL1912176 0.86 HPGD (0.44) HPGDRECQLSMN1; SMN2KMT2AMEN1
SCHEMBL1908664 0.85 NAMPT (0.47) SSTR4
SCHEMBL12409132 0.84 SIGMAR1 (0.63) HPGDRECQLSSTR4
SCHEMBL13242298 0.81 DRD4 (0.66) HPGDRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4981401 0.81 SMN1; SMN2 (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2SSTR4
SCHEMBL25103818 0.81 HRH3 (0.47) HPGDALDH1A1RECQLL3MBTL1ALOX15
SCHEMBL25103815 0.81 HRH3 (0.47) HPGDALDH1A1RECQLL3MBTL1ALOX15
SCHEMBL25096572 0.81 HRH3 (0.47) HPGDALDH1A1RECQLL3MBTL1ALOX15

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 31 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-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
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US 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-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS 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 (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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HPGD 1278/4885ALDH1A1 387/4885RECQL 773/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HPGD 1584/4885ALDH1A1 478/4885RECQL 2555/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 HPGD 2895/4885ALDH1A1 301/4885RECQL 915/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 HPGD 1539/4885ALDH1A1 201/4885RECQL 2106/4885

“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.