SCHEMBL940803

SCHEMBL940803

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 5/20 0.41
TP53 P04637 3/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1A Q13627 1/20 0.41
KMT2A Q03164 5/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 3/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
CFTR P13569 1/20 0.39
SCN9A Q15858 1/20 0.39
HPGD P15428 5/20 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
SCHEMBL942101 0.93 KMT2A (0.39) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL940681 0.92 PKM (0.39) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL940867 0.89 KMT2A (0.43) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL2011630 0.89 ADORA2A (0.42) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL940842 0.88 FLT3 (0.47) ADORA2AADORA1MAPTTP53LMNA
SCHEMBL5224949 0.88 ADORA3 (0.48) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL5319229 0.88 MAPT (0.42) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL940828 0.87 MAPT (0.43) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL939986 0.87 THRB (0.44) ADORA2AADORA1MAPTTP53CLK4
SCHEMBL940004 0.86 ALDH1A1 (0.42) ADORA2AADORA1MAPTKMT2ALMNA

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 8 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

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 ADORA2A 2/4885ADORA1 3/4885MAPT 1043/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885MAPT 1043/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA1 4/4885MAPT 4773/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA1 4/4885MAPT 4709/4885

“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.