SCHEMBL1356263

SCHEMBL1356263

COC[C@H]1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 1.00
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CYP3A4 P08684 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
RAB9A P51151 1/20 0.38
FLT3 P36888 1/20 0.38
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
IGF1R P08069 1/20 0.37
PDE4B Q07343 1/20 0.37
EIF4E P06730 1/20 0.36
BCL6 P41182 1/20 0.36

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
SCHEMBL1352825 1.00 ADORA2A (1.00) ADORA2AMKNK1MKNK2CYP3A4JAK2
SCHEMBL13284352 0.89 ADORA2A (0.81) ADORA2ATLR8TLR7RAB9APDE4B
SCHEMBL13284350 0.89 ADORA2A (0.81) ADORA2ATLR8TLR7RAB9APDE4B
SCHEMBL1355476 0.83 ADORA2A (0.75) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355364 0.82 ADORA2A (0.76) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355435 0.82 ADORA2A (0.76) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355650 0.82 ADORA2A (0.69) ADORA2AMKNK1MKNK2CYP3A4JAK2
SCHEMBL12133219 0.81 ADORA2A (0.68) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355334 0.80 ADORA2A (0.65) ADORA2AMKNK1MKNK2CYP3A4JAK2
SCHEMBL12134130 0.79 ADORA2A (0.65) ADORA2AMKNK1MKNK2CYP3A4JAK2

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 10 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
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.