SCHEMBL939939

SCHEMBL939939

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccc(N(C)C)cc3c(NCc3cccs3)c2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 6/20 0.41
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 4/20 0.41
USP2 O75604 3/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 7/20 0.40
CLK4 Q9HAZ1 4/20 0.40
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CASP7 P55210 2/20 0.40
APEX1 P27695 1/20 0.40
POLB P06746 3/20 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
SCHEMBL5462036 0.89 KMT2A (0.48) MAPTTP53CYP1A2CYP3A4CYP2D6
SCHEMBL941232 0.88 SMN1; SMN2 (0.42) MAPTTP53CYP3A4CYP2C19HPGD
SCHEMBL940755 0.88 KMT2A (0.40) MAPTTP53CYP1A2CYP3A4CYP2D6
SCHEMBL940803 0.86 ADORA2A (0.41) MAPTTP53CYP1A2CYP3A4CYP2D6
SCHEMBL940178 0.86 ALDH1A1 (0.41) MAPTTP53HSD17B10KMT2AHPGD
SCHEMBL939938 0.81 KMT2A (0.37) MAPTTP53CYP3A4CYP2C19KMT2A
SCHEMBL942101 0.81 KMT2A (0.39) MAPTTP53CYP1A2CYP3A4CYP2D6
SCHEMBL5231317 0.80 ABCG2 (0.38) MAPTTP53KMT2AMEN1TSHR
SCHEMBL940681 0.79 PKM (0.39) MAPTTP53CYP1A2CYP3A4CYP2D6
SCHEMBL940613 0.77 CYP1A2 (0.41) MAPTTP53CYP1A2CYP3A4CYP2D6

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 MAPT 1043/4885TP53 3233/4885CYP1A2 1001/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 MAPT 1043/4885TP53 3233/4885CYP1A2 1001/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4773/4885TP53 2824/4885CYP1A2 593/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4709/4885TP53 2336/4885CYP1A2 508/4885

“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.