SCHEMBL940281

SCHEMBL940281

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3c(NCc3ccccc3)c2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 4/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.40
HDAC1 Q13547 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
POLB P06746 2/20 0.40
BCHE P06276 1/20 0.40
GFER P55789 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL941239 0.93 HTR6 (0.44) MAPTKMT2ATSHRTP53KDM4E
SCHEMBL941086 0.91 KDM4E (0.46) MAPTSMN1; SMN2HSD17B10KMT2AKDM4E
SCHEMBL5964942 0.86 MAPT (0.56) MAPTL3MBTL1LMNASMN1; SMN2HSD17B10
SCHEMBL5460979 0.83 ADORA3 (0.46) MAPTLMNASMN1; SMN2KMT2ATSHR
SCHEMBL941232 0.82 SMN1; SMN2 (0.42) MAPTLMNASMN1; SMN2TSHRTP53
SCHEMBL940661 0.81 MAPT (0.45) MAPTL3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL939996 0.79 KIT (0.51) MAPTL3MBTL1KITFLT3HTR2A
SCHEMBL940590 0.77 MAPT (0.44) MAPTL3MBTL1SMN1; SMN2HSD17B10KMT2A
SCHEMBL939892 0.77 KIT (0.47) MAPTL3MBTL1SMN1; SMN2HSD17B10KMT2A
SCHEMBL941565 0.77 ATM (0.47) MAPTL3MBTL1LMNAKDM4EACHE

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 1043/4885L3MBTL1 4842/4885LMNA 1348/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 MAPT 1043/4885L3MBTL1 4842/4885LMNA 1348/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4773/4885L3MBTL1 4361/4885LMNA 2795/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B MAPT 4709/4885L3MBTL1 4469/4885LMNA 2480/4885

“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.