SCHEMBL940178

SCHEMBL940178

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccc(N(C)C)cc3c(NCc3ccco3)c2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 7/20 0.40
HSD17B10 Q99714 5/20 0.40
ALOX15 P16050 2/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 3/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL5223996 0.89 MEN1 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL941232 0.88 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL939939 0.86 MAPT (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL940004 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL940176 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL939815 0.77 ADRA2A (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL5460979 0.77 ADORA3 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL940661 0.76 MAPT (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5224004 0.75 ADORA3 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR
SCHEMBL5462036 0.74 KMT2A (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTTSHR

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 ALDH1A1 2526/4885SMN1; SMN2 3694/4885KDM4E 3817/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ALDH1A1 2526/4885SMN1; SMN2 3694/4885KDM4E 3817/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ALDH1A1 697/4885SMN1; SMN2 4549/4885KDM4E 4274/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ALDH1A1 926/4885SMN1; SMN2 4638/4885KDM4E 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.