SCHEMBL940193

SCHEMBL940193

N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)nc2ccc(NC=O)cc2c1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 5/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
ESR1 P03372 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAPT P10636 6/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42

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 0.89 MAPK1 (0.45) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL940713 0.89 RAB9A (0.43) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6479836 0.88 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL5229876 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL940614 0.86 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL940231 0.84 ADORA2A (0.45) SMN1; SMN2ALDH1A1KDM4ETDP1AURKA
SCHEMBL943391 0.79 MAPK1 (0.43) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6487647 0.78 MEN1 (0.54) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL939909 0.76 CTNNB1 (0.49) SMN1; SMN2ALDH1A1KDM4ETDP1AURKA
SCHEMBL5231022 0.75 RAB9A (0.43) RAB9ANPC1SMN1; SMN2PKMALDH1A1

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 12 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
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
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 RAB9A 961/4885NPC1 4462/4885SMN1; SMN2 3694/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 RAB9A 961/4885NPC1 4462/4885SMN1; SMN2 3694/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B RAB9A 1969/4885NPC1 2413/4885SMN1; SMN2 4549/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B RAB9A 1319/4885NPC1 3266/4885SMN1; SMN2 4638/4885

“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.