SCHEMBL1353175

SCHEMBL1353175

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.64
SCN9A Q15858 4/20 0.39
SCN5A Q14524 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
TGFBR1 P36897 3/20 0.34
TGFBR2 P37173 2/20 0.34
RXRA P19793 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL1355537 0.84 ADORA2A (0.74) ADORA2ASCN9APRMT5WDR77SYK
SCHEMBL1354668 0.83 ADORA2A (0.67) ADORA2ASCN9APRMT5WDR77TGFBR1
SCHEMBL1353250 0.82 ADORA2A (0.64) ADORA2APRMT5WDR77
SCHEMBL1355608 0.82 ADORA2A (0.63) ADORA2APRMT5WDR77TGFBR1TGFBR2
SCHEMBL8444474 0.80 ADORA2A (0.54) ADORA2ASCN9ASCN5ARXRA
SCHEMBL12133213 0.79 ADORA2A (0.64) ADORA2A
SCHEMBL1353259 0.79 ADORA2A (0.64) ADORA2A
SCHEMBL1355414 0.78 ADORA2A (1.00) ADORA2A
SCHEMBL1355307 0.78 ADORA2A (1.00) ADORA2A
SCHEMBL1354665 0.78 ADORA2A (1.00) ADORA2A

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 13 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

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 1/4885SCN9A 1626/4885SCN5A 798/4885

“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.