SCHEMBL940661

SCHEMBL940661

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccc([N+](=O)[O-])cc3c(NCc3ccccc3)c2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
EGFR P00533 1/20 0.45
ACHE P22303 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 3/20 0.43
HTT P42858 3/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
PIN1 Q13526 1/20 0.41
PDE5A O76074 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 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
SCHEMBL940755 0.88 KMT2A (0.40) MAPTRAB9ASMN1; SMN2MAPK1ACHE
SCHEMBL5460979 0.87 ADORA3 (0.46) MAPTRAB9ASMN1; SMN2KDM4EEGFR
SCHEMBL941232 0.87 SMN1; SMN2 (0.42) MAPTRAB9ASMN1; SMN2KDM4EHTT
SCHEMBL5784594 0.85 EGFR (0.49) MAPTRAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL5231317 0.84 ABCG2 (0.38) MAPTKMT2AMEN1GAAHTT
SCHEMBL941239 0.82 HTR6 (0.44) MAPTKDM4EKMT2AGAAALDH1A1
SCHEMBL941086 0.82 KDM4E (0.46) MAPTRAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL940281 0.81 MAPT (0.47) MAPTSMN1; SMN2KDM4EACHEKMT2A
SCHEMBL5220504 0.81 KMT2A (0.48) RAB9ASMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL5964937 0.79 ADORA3 (0.40) MAPTSMN1; SMN2KDM4EEGFRKMT2A

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 MAPT 1043/4885RAB9A 961/4885SMN1; SMN2 3694/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 MAPT 1043/4885RAB9A 961/4885SMN1; SMN2 3694/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4773/4885RAB9A 1969/4885SMN1; SMN2 4549/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4709/4885RAB9A 1319/4885SMN1; 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.