SCHEMBL939938

SCHEMBL939938

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccc(N(C)C)cc3c(N(C)c3cccs3)c2C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 4/20 0.35
HPGD P15428 4/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
GRM1 Q13255 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 4/20 0.34
PPARG P37231 2/20 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
SCHEMBL6489955 0.89 ADORA3 (0.44) KMT2AALDH1A1NPSR1HTTADORA3
SCHEMBL940801 0.85 ADORA2A (0.42) KMT2AALDH1A1NPSR1HTTADORA3
SCHEMBL940176 0.84 ALDH1A1 (0.37) KMT2AALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL939939 0.81 MAPT (0.41) KMT2AALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL941232 0.76 SMN1; SMN2 (0.42) ALDH1A1NPSR1CYP3A4CYP2C9ALOX12
SCHEMBL2011626 0.75 ADORA2A (0.42) KMT2AALDH1A1NPSR1HTTADORA3
SCHEMBL940178 0.73 ALDH1A1 (0.41) KMT2AALDH1A1NPSR1HTTKDM4E
SCHEMBL6489832 0.73 ADORA3 (0.49) KMT2AALDH1A1NPSR1HTTADORA3
SCHEMBL2013402 0.71 ADORA2A (0.38) KMT2AALDH1A1NPSR1HTTADORA3
SCHEMBL940002 0.68 ADORA1 (0.42) KMT2AALDH1A1NPSR1HTTADORA3

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 KMT2A 3269/4885ALDH1A1 2526/4885NPSR1 332/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 KMT2A 3269/4885ALDH1A1 2526/4885NPSR1 332/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B KMT2A 3104/4885ALDH1A1 697/4885NPSR1 288/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B KMT2A 2629/4885ALDH1A1 926/4885NPSR1 336/4885

“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.