SCHEMBL940002

SCHEMBL940002

COc1ccc(C(=O)Nc2nc3ccc(N(C)C)cc3c(N(C)c3ccco3)c2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA3 P0DMS8 3/20 0.40
MAPT P10636 6/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
XBP1 P17861 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AHR P35869 1/20 0.38
KISS1R Q969F8 2/20 0.37

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
SCHEMBL940176 0.85 ALDH1A1 (0.37) ADORA1ADORA2AADORA3MAPTHPGD
SCHEMBL940801 0.84 ADORA2A (0.42) ADORA1ADORA2AADORA3MAPTHPGD
SCHEMBL940004 0.82 ALDH1A1 (0.42) ADORA1ADORA2AMAPTHPGDSMN1; SMN2
SCHEMBL940842 0.77 FLT3 (0.47) ADORA1ADORA2AADORA3MAPTHPGD
SCHEMBL2761628 0.77 ADORA1 (0.46) ADORA1ADORA2AADORA3MAPTHPGD
SCHEMBL2761627 0.77 ADORA1 (0.46) ADORA1ADORA2AADORA3MAPTHPGD
SCHEMBL940803 0.76 ADORA2A (0.41) ADORA1ADORA2AMAPTHPGDSMN1; SMN2
SCHEMBL2011626 0.74 ADORA2A (0.42) ADORA1ADORA2AADORA3MAPTHPGD
SCHEMBL6487832 0.74 ADORA3 (0.44) ADORA3MAPTHPGDMEN1KMT2A
SCHEMBL6489832 0.72 ADORA3 (0.49) ADORA1ADORA2AADORA3MAPTHPGD

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 8 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

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 ADORA1 3/4885ADORA2A 2/4885ADORA3 1/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ADORA3 1/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA1 4/4885ADORA2A 2/4885ADORA3 1/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA1 4/4885ADORA2A 2/4885ADORA3 1/4885

“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.