SCHEMBL940647

SCHEMBL940647

CN1CCN(c2ccc3nc(N)c(C#N)c(NCc4ccccc4)c3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.56
HTR2A P28223 1/20 0.56
HRH4 Q9H3N8 11/20 0.52
PDGFRB P09619 2/20 0.48
FGFR1 P11362 2/20 0.48
KDR P35968 2/20 0.48
HTR3A P46098 1/20 0.46
PDE5A O76074 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MET P08581 1/20 0.42
KCNH2 Q12809 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
SCHEMBL941565 0.89 ATM (0.47) HTR6HTR2ADRD2
SCHEMBL941557 0.88 PIK3CB (0.50) PDE5A
SCHEMBL1414395 0.88 GFER (0.53) HTR6HTR2APDE5AMET
SCHEMBL1414187 0.84 HTR2A (0.38) HTR6HTR2AHRH4FGFR1KDR
SCHEMBL27892393 0.79 HTR6 (0.65) HTR6HTR2AHRH4HTR3APDE5A
SCHEMBL940721 0.78 KDM4E (0.45) HTR6HRH4HTR3ADRD2HTR2C
SCHEMBL940237 0.78 HRH4 (0.48) HTR6HRH4PDGFRBFGFR1KDR
SCHEMBL939996 0.78 KIT (0.51) HTR6HTR2AFGFR1KDR
SCHEMBL942090 0.77 MAPT (0.47)
SCHEMBL3518003 0.77 KMT2A (0.65) PDE5A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338411-B2 Compounds SANOFI (FR) 2012-12-25 US disclosed
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
EP-2167470-B1 TRIAZOLO [1, 5-A]QUINOLINES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-03-16 EP 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-20100216786-A1 NEW COMPOUNDS SANOFI-AVENTIS (FR) 2010-08-26 US disclosed
EP-2167470-A1 TRIAZOLO [1, 5-A]QUINOLINES AS ADENOSINE A3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2010-03-31 EP 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
WO-2008149168-A1 TRIAZOLO [1, 5-A] QUINOLINES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-12-11 WO 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 (5 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 HTR6 146/4885HTR2A 132/4885HRH4 209/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 HTR6 146/4885HTR2A 132/4885HRH4 209/4885
US-20100216786-A1 NEW COMPOUNDS ADORA3, ADORA2A, ADORA1 HTR6 221/4885HTR2A 212/4885HRH4 636/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B HTR6 176/4885HTR2A 83/4885HRH4 631/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B HTR6 90/4885HTR2A 77/4885HRH4 739/4885

“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.