SCHEMBL6480105

SCHEMBL6480105

CN(c1cccs1)c1c(C#N)c(NC(=O)c2ccsc2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.46
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 2/20 0.39
MAPK10 P53779 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
KISS1R Q969F8 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TNIK Q9UKE5 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
INSR P06213 1/20 0.34
ITK Q08881 1/20 0.34
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6489832 0.86 ADORA3 (0.49) ADORA3HPGDMAPK10KISS1RMEN1
SCHEMBL6487832 0.84 ADORA3 (0.44) ADORA3CASP3SENP8SENP7SENP6
SCHEMBL6487640 0.83 ALDH1A1 (0.45) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL6481975 0.83 MEN1 (0.33) ADORA3HPGDMEN1KMT2AKDM4E
SCHEMBL6480107 0.76 ADORA3 (0.46) ADORA3CASP3SENP8SENP7SENP6
SCHEMBL940801 0.75 ADORA2A (0.42) ADORA3HPGDMAPK10KISS1RMEN1
SCHEMBL6481655 0.74 MEN1 (0.45) ADORA3CASP3SENP8SENP7SENP6
SCHEMBL3529455 0.74 KDM4E (0.42) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL6480019 0.74 ADORA3 (0.48) ADORA3CASP3SENP8SENP7SENP6
SCHEMBL6489955 0.70 ADORA3 (0.44) ADORA3HPGDMEN1KMT2AKDM4E

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 11 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-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 1/4885CASP3 975/4885SENP8 4820/4885

“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.