SCHEMBL940004

SCHEMBL940004

COc1ccc(C(=O)Nc2nc3ccc(N(C)C)cc3c(NCc3ccco3)c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 6/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.40

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 0.88 FLT3 (0.47) ALDH1A1HPGDMAPTADORA2AADORA1
SCHEMBL5224669 0.88 MEN1 (0.49) ALDH1A1HPGDMAPTNPSR1RXFP1
SCHEMBL940178 0.86 ALDH1A1 (0.41) ALDH1A1HPGDMAPTNPSR1MEN1
SCHEMBL940803 0.86 ADORA2A (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL940002 0.82 ADORA1 (0.42) ALDH1A1HPGDMAPTNPSR1MEN1
SCHEMBL941803 0.81 ADORA2A (0.43) ALDH1A1HPGDMAPTADORA2AADORA1
SCHEMBL940906 0.80 ADORA2A (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL942101 0.79 KMT2A (0.39) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL940681 0.79 PKM (0.39) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL940639 0.78 CTNNB1 (0.51)

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 ALDH1A1 2526/4885HPGD 4005/4885MAPT 1043/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ALDH1A1 2526/4885HPGD 4005/4885MAPT 1043/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ALDH1A1 697/4885HPGD 2965/4885MAPT 4773/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ALDH1A1 926/4885HPGD 3527/4885MAPT 4709/4885

“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.