SCHEMBL6488993

SCHEMBL6488993

N#Cc1c(N(C(=O)c2ccc3c(c2)OCO3)C(=O)c2ccc3c(c2)OCO3)nc2ccccc2c1NCc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
CYP2D6 P10635 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPK1 P28482 6/20 0.51
CYP1A2 P05177 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2C19 P33261 5/20 0.51
CLK4 Q9HAZ1 5/20 0.51
HSD17B10 Q99714 4/20 0.51
USP2 O75604 4/20 0.51
LMNA P02545 4/20 0.51
CYP2C9 P11712 2/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 5/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 4/20 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
SCHEMBL6480798 0.89 ALDH1A1 (0.48) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL6487647 0.86 MEN1 (0.54) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL6480146 0.84 CYP1A2 (0.44) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL5462036 0.83 KMT2A (0.48) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL6491520 0.75 KMT2A (0.46) ALDH1A1CYP2D6MEN1KMT2ACYP1A2
SCHEMBL940779 0.75 MAPK1 (0.45) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL939939 0.75 MAPT (0.41) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL6479836 0.74 ALDH1A1 (0.54) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL943391 0.74 MAPK1 (0.43) ALDH1A1CYP2D6MEN1KMT2AMAPK1
SCHEMBL940755 0.73 KMT2A (0.40) ALDH1A1CYP2D6MEN1KMT2AMAPK1

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 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 ALDH1A1 273/4885CYP2D6 588/4885MEN1 3078/4885

“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.