SCHEMBL941565

SCHEMBL941565

N#Cc1c(N)nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2c1NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.44
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43
ACHE P22303 5/20 0.43
BCHE P06276 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ESR1 P03372 1/20 0.42
RUNX1 Q01196 1/20 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
SCHEMBL940647 0.89 HTR6 (0.56) HTR2AHTR6DRD2
SCHEMBL941557 0.87 PIK3CB (0.50) KDM4EMAPTNPSR1GAAALDH1A1
SCHEMBL1414395 0.85 GFER (0.53) KDM4EMAPTMAPK1GAAHTR2A
SCHEMBL940619 0.85 POLB (0.49) ATMKDM1AKDM4EMAPTPOLB
SCHEMBL941244 0.84 POLB (0.48) ATMKDM1AKDM4EMAPTPOLB
SCHEMBL1414187 0.81 HTR2A (0.38) ATMKDM4EMAPTPOLBNPSR1
SCHEMBL2761845 0.79 POLB (0.43) ATMKDM1AKDM4EMAPTPOLB
SCHEMBL5964942 0.77 MAPT (0.56) KDM4EMAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL940281 0.77 MAPT (0.47) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL3518003 0.76 KMT2A (0.65) KDM4EMAPTPOLBMAPK1NPSR1

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 ATM 2259/4885KDM1A 4337/4885KDM4E 3817/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ATM 2259/4885KDM1A 4337/4885KDM4E 3817/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ATM 1880/4885KDM1A 4577/4885KDM4E 4274/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ATM 1470/4885KDM1A 4283/4885KDM4E 3522/4885

“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.