SCHEMBL940754

SCHEMBL940754

N#Cc1c(N)nc2ccc([N+](=O)[O-])cc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
KMT2A Q03164 5/20 0.46
OPRK1 P41145 1/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
VCAM1 P19320 1/20 0.44
IKBKB O14920 1/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
APEX1 P27695 1/20 0.40
HTT P42858 1/20 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
SCHEMBL9794607 0.86 KMT2A (0.48) ACHEKMT2AOPRK1MEN1ALDH1A1
SCHEMBL939858 0.84 IKBKB (0.49) ACHEKMT2AOPRK1MEN1ALDH1A1
SCHEMBL4960657 0.84 KMT2A (0.46) ACHEKMT2AOPRK1MEN1ALDH1A1
SCHEMBL27580629 0.81 NPBWR1 (0.49) ACHEKMT2AOPRK1MEN1ALDH1A1
SCHEMBL27576305 0.80 IKBKB (0.41) ACHEKMT2AOPRK1MEN1ALDH1A1
SCHEMBL27594694 0.79 ABCG2 (0.53) KMT2AOPRK1MEN1ALDH1A1POLB
SCHEMBL27576308 0.78 MAPK1 (0.47) KMT2AOPRK1MEN1ALDH1A1POLB
SCHEMBL940292 0.77 ACHE (0.57) ACHEKMT2AMEN1ALDH1A1POLB
SCHEMBL28751324 0.77 ABCG2 (0.46) KMT2AOPRK1MEN1ALDH1A1POLB
SCHEMBL27576301 0.77 IKBKB (0.41) ACHEKMT2AOPRK1MEN1ALDH1A1

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 ACHE 490/4885KMT2A 3269/4885OPRK1 205/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ACHE 490/4885KMT2A 3269/4885OPRK1 205/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ACHE 3682/4885KMT2A 3104/4885OPRK1 333/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ACHE 2160/4885KMT2A 2629/4885OPRK1 327/4885

“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.