SCHEMBL1355284

SCHEMBL1355284

CCN(C(=O)c1ccc(C(=O)c2cnc3ccccn23)nc1)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ATM Q13315 3/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.45
HSD11B1 P28845 1/20 0.41
BRD4 O60885 1/20 0.40
MAPK10 P53779 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1354594 0.85 ADORA2A (0.74) ADORA2AATMRAB9ANPC1HSD11B1
SCHEMBL1355150 0.84 ADORA2A (0.72) ADORA2AATMRAB9ANPC1HSD11B1
SCHEMBL1355495 0.83 ADORA2A (0.73) ADORA2AATMRAB9ANPC1HSD11B1
SCHEMBL1356242 0.82 ADORA2A (0.70) ADORA2AATMRAB9ANPC1HSD11B1
SCHEMBL27978954 0.82 ADORA2A (0.76) ADORA2AATMRAB9ANPC1RXFP1
SCHEMBL1355300 0.81 ADORA2A (0.70) ADORA2AATMRAB9ANPC1HSD11B1
SCHEMBL1353041 0.80 ADORA2A (0.71) ADORA2AATMRAB9ANPC1MAPK10
SCHEMBL1355195 0.80 ADORA2A (0.74) ADORA2AATMRAB9ANPC1HSD11B1
SCHEMBL1355179 0.79 ADORA2A (1.00) ADORA2AATMRAB9ANPC1HSD11B1
SCHEMBL1355642 0.79 ADORA2A (0.65) ADORA2AATMRAB9A

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-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
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
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
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 1/4885ATM 801/4885RAB9A 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.