SCHEMBL1355301

SCHEMBL1355301

CCN(CC)C(=O)c1ccc(C(=O)c2cnc3ccccn23)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.75
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
HPGD P15428 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHB3 P54753 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1356244 0.90 ADORA2A (0.69) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL1355344 0.87 ADORA2A (0.71) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL1355011 0.86 ADORA2A (1.00) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL1353266 0.86 NPC1 (0.69) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL31365941 0.83 NPC1 (0.69) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL1355197 0.81 ADORA2A (0.73) ADORA2ANPC1RAB9AHPGDMEN1
SCHEMBL31365955 0.81 NPC1 (0.74) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL1355473 0.81 ADORA2A (0.82) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL11266749 0.81 NPC1 (0.78) ADORA2ANPC1RAB9AHPGDALDH1A1
SCHEMBL8452227 0.81 ADORA2A (0.62) ADORA2ANPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US claimed
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
CN-102365280-B adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2014-10-29 CN disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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 (1 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885NPC1 1152/4885RAB9A 1899/4885

“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.