SCHEMBL590388

SCHEMBL590388

CCOC(=O)c1ccc(N2CCC(NC(=O)n3ccnc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
P2RY12 Q9H244 2/20 0.52
USP30 Q70CQ3 3/20 0.48
OGA O60502 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HPGDS O60760 2/20 0.41
KMT2A Q03164 1/20 0.41
TBXAS1 P24557 1/20 0.40

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
SCHEMBL14018303 0.82 HRH3 (0.56) HRH3P2RY12USP30OGAKDM4E
SCHEMBL6140015 0.79 CKS1B (0.56) HRH3P2RY12USP30OGAMAPT
SCHEMBL1908716 0.78 USP30 (0.54) HRH3P2RY12USP30OGAKDM4E
SCHEMBL241678 0.76 ALDH1A1 (0.51) HRH3KDM4EALDH1A1MAPTHSD17B10
SCHEMBL591858 0.76 HRH3 (0.61) HRH3P2RY12USP30OGAKDM4E
SCHEMBL16812021 0.75 SMO (0.69) HRH3P2RY12USP30ALDH1A1HPGDS
SCHEMBL2820792 0.74 P2RY12 (0.64) HRH3P2RY12OGAKDM4EALDH1A1
SCHEMBL590676 0.74 HRH3 (0.59) HRH3P2RY12USP30OGAKDM4E
SCHEMBL6945090 0.74 HRH3 (0.59) HRH3P2RY12USP30OGAKDM4E
SCHEMBL10194526 0.73 HRH3 (0.58) HRH3P2RY12USP30OGANPC1

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
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP 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
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP 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-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP 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
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 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 HRH3 186/4885P2RY12 135/4885USP30 3834/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HRH3 628/4885P2RY12 154/4885USP30 4624/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 HRH3 778/4885P2RY12 1929/4885USP30 3841/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 HRH3 318/4885P2RY12 216/4885USP30 4498/4885

“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.