SCHEMBL939909

SCHEMBL939909

CNc1ccc2nc(NC(=O)c3ccc(OC)cc3)c(C#N)c(NCc3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.49
TCF7L2 Q9NQB0 6/20 0.49
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SCD O00767 1/20 0.44
HDAC1 Q13547 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
MAPT P10636 3/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
TP53 P04637 1/20 0.42
CFTR P13569 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL940231 0.92 ADORA2A (0.45) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL943367 0.90 ADORA2A (0.44) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL939862 0.89 ADORA2A (0.47) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL2012739 0.89 ADORA2A (0.47) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL5254988 0.89 ADORA3 (0.53) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL29371671 0.89 ADORA3 (0.53) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL940842 0.87 FLT3 (0.47) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL5784594 0.87 EGFR (0.49) ADORA2AADORA1SCDMAPTKDM4E
SCHEMBL940905 0.85 ADORA2A (0.44) CTNNB1TCF7L2ADORA2AADORA1SCD
SCHEMBL941803 0.85 ADORA2A (0.43) CTNNB1TCF7L2ADORA2AADORA1SCD

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-8071601-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2011-12-06 US disclosed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-7799922-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2010-09-21 US disclosed
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2009-10-01 US disclosed
US-7547696-B2 Such as 4-methoxy-N-[6-(morpholin-4-yl)-4-benzylamino-3-cyanoquinolin-2-yl]-benzamide; improved solubility SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
EP-1663982-B1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI AVENTIS (FR) 2007-11-21 EP disclosed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 US disclosed
EP-1663982-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005009969-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2005-02-03 WO 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 (4 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-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands ADORA3, ADORA2A, ADORA1 CTNNB1 230/4885TCF7L2 1467/4885ADORA2A 2/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 CTNNB1 230/4885TCF7L2 1467/4885ADORA2A 2/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B CTNNB1 2571/4885TCF7L2 3173/4885ADORA2A 2/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B CTNNB1 2347/4885TCF7L2 2413/4885ADORA2A 2/4885

“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.