SCHEMBL941244

SCHEMBL941244

N#Cc1c(N)nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
DRD4 P21917 4/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 3/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ACHE P22303 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
NCF1 P14598 1/20 0.42
HTR1A P08908 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL940619 0.88 POLB (0.49) POLBDRD4DRD2DRD3KDM1A
SCHEMBL941565 0.84 ATM (0.47) POLBDRD4DRD2DRD3KDM1A
SCHEMBL940721 0.82 KDM4E (0.45) DRD2ALDH1A1KDM4EMAPTHPGD
SCHEMBL2761845 0.82 POLB (0.43) POLBDRD4DRD2DRD3KDM1A
SCHEMBL1414641 0.79 KDM4E (0.47) KDM4ENCF1
SCHEMBL1414472 0.73 KDM4E (0.38) ALDH1A1ATMKDM4ELMNAMAPT
SCHEMBL940647 0.73 HTR6 (0.56) DRD2HTR2AHTR2CHTR2B
SCHEMBL1414395 0.71 GFER (0.53) ALDH1A1ACHEKDM4ELMNAMAPT
SCHEMBL940237 0.71 HRH4 (0.48) DRD2KDM1AALDH1A1KDM4EMAPT
SCHEMBL941557 0.71 PIK3CB (0.50) ALDH1A1KDM4ELMNAMAPTHPGD

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 POLB 2169/4885DRD4 372/4885DRD2 393/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 POLB 2169/4885DRD4 372/4885DRD2 393/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B POLB 1754/4885DRD4 1061/4885DRD2 870/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B POLB 1633/4885DRD4 636/4885DRD2 544/4885

“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.