SCHEMBL6480019

SCHEMBL6480019

N#Cc1c(NC(=O)c2ccsc2)nc2ccccc2c1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CTNNB1 P35222 4/20 0.42
TCF7L2 Q9NQB0 4/20 0.42
HPGD P15428 2/20 0.42
ACHE P22303 3/20 0.40
APP P05067 2/20 0.40
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL6480107 0.89 ADORA3 (0.46) ADORA3KMT2APOLBCASP3SENP8
SCHEMBL6487837 0.87 ADORA3 (0.47) ADORA3KMT2APOLBCASP3SENP8
SCHEMBL6480432 0.83 KISS1R (0.49) ADORA3KMT2APOLBRAD52MEN1
SCHEMBL6613383 0.82 CTNNB1 (0.47) KMT2APOLBRAD52CTNNB1TCF7L2
SCHEMBL29371671 0.82 ADORA3 (0.53) ADORA3KMT2APOLBRAD52CTNNB1
SCHEMBL6489855 0.82 ADORA3 (0.49) ADORA3KMT2APOLBRAD52CASP3
SCHEMBL5254988 0.82 ADORA3 (0.53) ADORA3KMT2APOLBRAD52CTNNB1
SCHEMBL6648902 0.80 CTNNB1 (0.49) KMT2APOLBRAD52CTNNB1TCF7L2
SCHEMBL6479650 0.80 MEN1 (0.54) ADORA3KMT2APOLBAPPMEN1
SCHEMBL6479836 0.79 ALDH1A1 (0.54) KMT2APOLBHPGDMEN1LMNA

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 6 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

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 1/4885KMT2A 2739/4885POLB 2011/4885

“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.