SCHEMBL6489832

SCHEMBL6489832

COc1ccc(C(=O)Nc2nc3ccccc3c(N(C)c3cccs3)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.49
ADORA1 P30542 2/20 0.48
ADORA2A P29274 1/20 0.48
RAB9A P51151 6/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 5/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.42
PAX8 Q06710 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
SCD O00767 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
F2 P00734 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
SCHEMBL2011626 0.89 ADORA2A (0.42) ADORA3ADORA1ADORA2ARAB9AMAPT
SCHEMBL940801 0.89 ADORA2A (0.42) ADORA3ADORA1ADORA2ARAB9AMAPT
SCHEMBL6480105 0.86 ADORA3 (0.46) ADORA3MAPTKMT2AMEN1TP53
SCHEMBL2013402 0.83 ADORA2A (0.38) ADORA3ADORA1ADORA2ARAB9AMAPT
SCHEMBL6489955 0.83 ADORA3 (0.44) ADORA3ADORA1ADORA2ARAB9AMAPT
SCHEMBL6487640 0.83 ALDH1A1 (0.45) ADORA1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL5224949 0.78 ADORA3 (0.48) ADORA3ADORA1ADORA2ARAB9AMAPT
SCHEMBL5254988 0.73 ADORA3 (0.53) ADORA3ADORA1ADORA2ARAB9AMAPT
SCHEMBL29371671 0.73 ADORA3 (0.53) ADORA3ADORA1ADORA2ARAB9AMAPT
SCHEMBL939938 0.73 KMT2A (0.37) ADORA3ADORA1ADORA2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390349-B1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SA (FR) 2012-07-25 EP claimed
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 US claimed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 US claimed
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP claimed
WO-2002096879-A9 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SYNTHELABO (FR) 2003-11-20 WO claimed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 WO claimed
EP-1390349-B1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SA (FR) 2012-07-25 EP disclosed
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 US disclosed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 US disclosed
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP disclosed
WO-2002096879-A9 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SYNTHELABO (FR) 2003-11-20 WO disclosed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 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 (1 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-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A ADORA3 1/4885ADORA1 2/4885ADORA2A 3/4885

“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.