SCHEMBL2011630

SCHEMBL2011630

COc1ccc(C(=O)Nc2nc3ccc(I)cc3c(NCc3cccs3)c2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1A Q13627 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 4/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CFTR P13569 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL940867 0.91 KMT2A (0.43) ADORA2AADORA1CLK4DYRK1AMAPT
SCHEMBL5224949 0.89 ADORA3 (0.48) ADORA2AADORA1CLK4MAPTTP53
SCHEMBL5319229 0.89 MAPT (0.42) ADORA2AADORA1CLK4DYRK1AMAPT
SCHEMBL940803 0.89 ADORA2A (0.41) ADORA2AADORA1CLK4DYRK1AMAPT
SCHEMBL939986 0.88 THRB (0.44) ADORA2AADORA1CLK4DYRK1AMAPT
SCHEMBL940828 0.88 MAPT (0.43) ADORA2AADORA1CLK4DYRK1AMAPT
SCHEMBL2012739 0.88 ADORA2A (0.47) ADORA2AADORA1MAPTTP53LMNA
SCHEMBL941318 0.87 MAPT (0.42) ADORA2AADORA1CLK4DYRK1AMAPT
SCHEMBL940680 0.86 ADORA2A (0.39) ADORA2AADORA1CLK4DYRK1AMAPT
SCHEMBL942101 0.86 KMT2A (0.39) ADORA2AADORA1CLK4DYRK1AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964731-B2 Isotopically marked quinoline derivatives as adenosin A3 receptor ligands SANOFI-AVENTIS (FR) 2011-06-21 US disclosed
EP-1814857-B1 ISOTOPICALLY MARKED QUINOLINE DERIVATIVES AS ADENOSIN A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2010-09-01 EP disclosed
US-20080027225-A1 ISOTOPICALLY MARKED QUINOLINE DERIVATIVES AS ADENOSIN A3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-01-31 US disclosed
EP-1814857-A1 ISOTOPICALLY MARKED QUINOLINE DERIVATIVES AS ADENOSIN A3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2007-08-08 EP disclosed
WO-2006051341-A1 ISOTOPICALLY MARKED QUINOLINE DERIVATIVES AS ADENOSIN A3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2006-05-18 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-20080027225-A1 ISOTOPICALLY MARKED QUINOLINE DERIVATIVES AS ADENOSIN A3 RECEPTOR LIGANDS ACKR3, ADORA3, CIAPIN1 ADORA2A 8/4885ADORA1 28/4885CLK4 2922/4885

“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.