SCHEMBL943391

SCHEMBL943391

N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)nc2ccc(NS(=O)(=O)O)cc2c1NCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
HSD17B10 Q99714 7/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 3/20 0.43
ALOX15 P16050 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
TP53 P04637 3/20 0.42
HPGD P15428 3/20 0.41
MAPT P10636 8/20 0.41

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
SCHEMBL940779 0.90 MAPK1 (0.45) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL940713 0.90 RAB9A (0.43) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL6487647 0.87 MEN1 (0.54) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL941318 0.86 MAPT (0.42) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL940193 0.79 RAB9A (0.44) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL5231022 0.79 RAB9A (0.43) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL6479836 0.76 ALDH1A1 (0.54) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL940828 0.76 MAPT (0.43) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL940680 0.75 ADORA2A (0.39) MAPK1HSD17B10ALDH1A1KMT2ALMNA
SCHEMBL943367 0.74 ADORA2A (0.44) ALDH1A1LMNASMN1; SMN2TP53HPGD

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 claimed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 US claimed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 US 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
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
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 MAPK1 3903/4885HSD17B10 4422/4885ALDH1A1 2526/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 MAPK1 3903/4885HSD17B10 4422/4885ALDH1A1 2526/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPK1 4291/4885HSD17B10 3784/4885ALDH1A1 697/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPK1 4233/4885HSD17B10 4254/4885ALDH1A1 926/4885

“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.