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
SCHEMBL940803 0.78 ADORA2A (0.41) —
SCHEMBL940004 0.78 ALDH1A1 (0.42) —
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.

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