SCHEMBL940639

SCHEMBL940639

CN(C)c1ccc2nc(NC(=O)c3ccc(F)cc3)c(C#N)c(NCc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 20/20 0.51
TCF7L2 Q9NQB0 20/20 0.51

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
SCHEMBL940842 0.90 FLT3 (0.47) CTNNB1TCF7L2
SCHEMBL940614 0.86 ALDH1A1 (0.44)
SCHEMBL5787889 0.85 MEN1 (0.39) CTNNB1TCF7L2
SCHEMBL941803 0.82 ADORA2A (0.43) CTNNB1TCF7L2
SCHEMBL940906 0.81 ADORA2A (0.43) CTNNB1TCF7L2
SCHEMBL940004 0.78 ALDH1A1 (0.42)
SCHEMBL940803 0.78 ADORA2A (0.41)
SCHEMBL2012739 0.78 ADORA2A (0.47) CTNNB1TCF7L2
SCHEMBL939862 0.78 ADORA2A (0.47) CTNNB1TCF7L2
SCHEMBL939909 0.77 CTNNB1 (0.49) CTNNB1TCF7L2

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 18 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
CN-100402501-C Aminoquinoline derivatives and their use as adenosine A3Use of ligands SANOFI AVENTIS (FR) 2008-07-16 CN 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
CN-1829695-A Aminoquinoline derivatives and their use as adenosine A3Use of ligands SANOFI AVENTIS (FR) 2006-09-06 CN 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
CN-101239945-B Aminoquinoline derivatives and their use as adenosine a3 ligands SANOFI AVENTIS 2011-04-13 CN 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
CN-101239945-A Aminoquinoline derivatives and their use as adenosine a3 ligands SANOFI AVENTIS (FR) 2008-08-13 CN disclosed
CN-100402501-C Aminoquinoline derivatives and their use as adenosine A3Use of ligands SANOFI AVENTIS (FR) 2008-07-16 CN 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
CN-1829695-A Aminoquinoline derivatives and their use as adenosine A3Use of ligands SANOFI AVENTIS (FR) 2006-09-06 CN 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 1467/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 CTNNB1 230/4885TCF7L2 1467/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B CTNNB1 2571/4885TCF7L2 3173/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B CTNNB1 2347/4885TCF7L2 2413/4885

“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.