SCHEMBL1354572

SCHEMBL1354572

O=C(c1ccc(C(=O)N2CCCCCC2)cc1F)c1cnc2ccc(F)cn12

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.81
GRM5 P41594 1/20 0.43
HPGD P15428 4/20 0.41
MAPK14 Q16539 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
TGFBR1 P36897 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL1354609 1.00 ADORA2A (0.81) ADORA2AGRM5HPGDMAPK14MKNK1
SCHEMBL1354694 0.91 ADORA2A (0.80) ADORA2AGRM5HPGDMKNK1MKNK2
SCHEMBL8452370 0.90 ADORA2A (0.72) ADORA2AHPGDMKNK1MKNK2TGFBR1
SCHEMBL1355297 0.90 ADORA2A (0.67) ADORA2AHPGDALDH1A1
SCHEMBL1354610 0.90 ADORA2A (1.00) ADORA2AGRM5HPGDMKNK1MKNK2
SCHEMBL1355417 0.90 ADORA2A (0.67) ADORA2AGRM5HPGDTGFBR1ALDH1A1
SCHEMBL1354587 0.90 ADORA2A (0.67) ADORA2AHPGDALDH1A1
SCHEMBL1352824 0.90 ADORA2A (0.67) ADORA2AGRM5HPGD
SCHEMBL1355652 0.88 ADORA2A (0.65) ADORA2AHPGDMKNK1MKNK2ALDH1A1
SCHEMBL1355509 0.88 ADORA2A (0.65) ADORA2AMKNK1MKNK2

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
CN-102365280-A Novel adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS 2012-02-29 CN 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 1/4885GRM5 87/4885HPGD 1536/4885

“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.