SCHEMBL940828

SCHEMBL940828

COc1ccc(C(=O)Nc2nc3ccc(NC=O)cc3c(NCc3cccs3)c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 3/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK1A Q13627 1/20 0.40
KMT2A Q03164 5/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 5/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CFTR P13569 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL941318 0.90 MAPT (0.42) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL2011630 0.88 ADORA2A (0.42) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL940867 0.88 KMT2A (0.43) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL940231 0.88 ADORA2A (0.45) MAPTTP53ADORA2AADORA1LMNA
SCHEMBL942101 0.87 KMT2A (0.39) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL5224949 0.87 ADORA3 (0.48) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL940803 0.87 ADORA2A (0.41) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL5319229 0.87 MAPT (0.42) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL939986 0.86 THRB (0.44) MAPTTP53ADORA2AADORA1CLK4
SCHEMBL940779 0.86 MAPK1 (0.45) MAPTTP53ADORA1CLK4DYRK1A

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 12 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 claimed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 US claimed
EP-1663982-B1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI AVENTIS (FR) 2007-11-21 EP claimed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 US claimed
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

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 MAPT 1043/4885TP53 3233/4885ADORA2A 2/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 MAPT 1043/4885TP53 3233/4885ADORA2A 2/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4773/4885TP53 2824/4885ADORA2A 2/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4709/4885TP53 2336/4885ADORA2A 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.