SCHEMBL6480107

SCHEMBL6480107

N#Cc1c(NC(=O)c2ccsc2)nc2ccccc2c1NCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
USP2 O75604 7/20 0.45
CYP1A2 P05177 7/20 0.45
CYP3A4 P08684 7/20 0.45
CYP2D6 P10635 7/20 0.45
CLK4 Q9HAZ1 5/20 0.45
LMNA P02545 5/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPK1 P28482 2/20 0.45
PDE5A O76074 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 6/20 0.42
TSHR P16473 5/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL6480019 0.89 ADORA3 (0.48) ADORA3MEN1KMT2AUSP2CYP1A2
SCHEMBL6487837 0.86 ADORA3 (0.47) ADORA3MEN1KMT2AUSP2LMNA
SCHEMBL5224949 0.85 ADORA3 (0.48) ADORA3MEN1KMT2AUSP2CYP1A2
SCHEMBL6487647 0.84 MEN1 (0.54) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL6480146 0.83 CYP1A2 (0.44) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL6480432 0.78 KISS1R (0.49) ADORA3MEN1KMT2ALMNAMAPK1
SCHEMBL6480105 0.76 ADORA3 (0.46) ADORA3MEN1KMT2AUSP2CYP1A2
SCHEMBL6480157 0.76 KMT2A (0.53) ADORA3MEN1KMT2ALMNAHSD17B10
SCHEMBL3529460 0.75 KMT2A (0.50) ADORA3MEN1KMT2AUSP2CYP1A2
SCHEMBL2011630 0.75 ADORA2A (0.42) ADORA3MEN1KMT2AUSP2CYP1A2

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 1/4885MEN1 3078/4885KMT2A 2739/4885

“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.