SCHEMBL6480432

SCHEMBL6480432

N#Cc1c(NC(=O)c2cccs2)nc2ccccc2c1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 7/20 0.49
ADORA3 P0DMS8 1/20 0.48
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPA1 O75762 1/20 0.45
TNKS O95271 1/20 0.44
CFTR P13569 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 3/20 0.43
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6480157 0.87 KMT2A (0.53) KISS1RADORA3KMT2APOLBKDM4E
SCHEMBL6480019 0.83 ADORA3 (0.48) ADORA3KMT2APOLBRAD52KDM4E
Ammonia Solution, Strong SCHEMBL27531632 0.83 KISS1R (0.49) KISS1RADORA3KMT2AKDM4EMAPT
SCHEMBL6491520 0.81 KMT2A (0.46) KMT2APOLBRAD52KDM4EMAPT
SCHEMBL6613383 0.79 CTNNB1 (0.47) KMT2APOLBRAD52MEN1LMNA
SCHEMBL6489855 0.78 ADORA3 (0.49) ADORA3KMT2APOLBRAD52KDM4E
SCHEMBL5254988 0.78 ADORA3 (0.53) ADORA3KMT2APOLBRAD52MAPT
SCHEMBL29371671 0.78 ADORA3 (0.53) ADORA3KMT2APOLBRAD52MAPT
SCHEMBL6480107 0.78 ADORA3 (0.46) ADORA3KMT2APOLBKDM4EMAPT
SCHEMBL6648902 0.77 CTNNB1 (0.49) KMT2APOLBRAD52MAPTMEN1

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 8 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 disclosed
CN-1257160-C Aminoquinoline derivatives and their use as adenosine A3 ligands PASTEUR SANOFI DIAGNOSTICS (FR) 2006-05-24 CN 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
CN-1512985-A Aminoquinoline and aminopiperidine derivatives and their use as adenosine A3 ligands ��ŵ�Ѻϳ�ʵ���� 2004-07-14 CN 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 KISS1R 1873/4885ADORA3 1/4885KMT2A 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.