SCHEMBL1355435

SCHEMBL1355435

Cn1nc(-c2cnc3ccc(C#N)cn23)c2ccc(C(=O)N3CCCCCC3)cc21

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.76
MKNK1 Q9BUB5 9/20 0.51
MKNK2 Q9HBH9 9/20 0.51
CYP3A4 P08684 2/20 0.51
EIF4E P06730 1/20 0.47
HPGD P15428 1/20 0.41

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
SCHEMBL1355364 1.00 ADORA2A (0.76) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355476 0.99 ADORA2A (0.75) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL12133219 0.93 ADORA2A (0.68) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL25337808 0.88 ADORA2A (0.59) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355237 0.87 ADORA2A (0.81) ADORA2AMKNK1MKNK2HPGD
SCHEMBL8446498 0.86 ADORA2A (0.80) ADORA2AMKNK1MKNK2CYP3A4HPGD
SCHEMBL1355022 0.86 ADORA2A (0.80) ADORA2AMKNK1MKNK2CYP3A4HPGD
SCHEMBL8448329 0.86 ADORA2A (0.80) ADORA2AMKNK1MKNK2CYP3A4HPGD
SCHEMBL1355307 0.86 ADORA2A (1.00) ADORA2AMKNK1MKNK2CYP3A4HPGD
SCHEMBL1355635 0.86 ADORA2A (0.80) 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 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.