SCHEMBL1355110

SCHEMBL1355110

O=C(c1ccc2c(-c3cnc4ccc(F)cn34)nn(Cc3ccccc3)c2c1)N1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 1.00
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
KCNK3 O14649 2/20 0.41
CNR2 P34972 2/20 0.40
PDE5A O76074 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL1356316 0.92 ADORA2A (0.85) ADORA2AMKNK1MKNK2CNR2HPGD
SCHEMBL1355148 0.88 ADORA2A (0.79) ADORA2AMKNK1MKNK2HPGD
SCHEMBL1356330 0.87 ADORA2A (0.78) ADORA2AMKNK1MKNK2HPGD
SCHEMBL24087336 0.87 ADORA2A (0.77) ADORA2AMKNK1MKNK2HPGD
SCHEMBL1355436 0.86 ADORA2A (0.75) ADORA2AMKNK1MKNK2HPGD
SCHEMBL1355621 0.84 ADORA2A (0.72) ADORA2AMKNK1MKNK2
SCHEMBL1355307 0.84 ADORA2A (1.00) ADORA2AMKNK1MKNK2HPGD
SCHEMBL1355414 0.84 ADORA2A (1.00) ADORA2AMKNK1MKNK2HPGD
SCHEMBL1354665 0.84 ADORA2A (1.00) ADORA2AMKNK1MKNK2HPGD
SCHEMBL1355331 0.84 ADORA2A (1.00) ADORA2AMKNK1MKNK2HPGD

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 14 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
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 1/4885MKNK1 1905/4885MKNK2 1468/4885

“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.