SCHEMBL2013402

SCHEMBL2013402

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(NC(=O)c3ccc(OC)cc3)c(C#N)c(N(C)c3cccs3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HPGD P15428 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALOX15 P16050 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
ATM Q13315 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA3 P0DMS8 3/20 0.35
KISS1R Q969F8 4/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2011626 0.84 ADORA2A (0.42) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL940801 0.84 ADORA2A (0.42) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL6489832 0.83 ADORA3 (0.49) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL2013404 0.83 MAPT (0.38) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL2008817 0.79 ADORA2A (0.42) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL939938 0.71 KMT2A (0.37) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL27683894 0.71 KDM4E (0.40) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL6480105 0.70 ADORA3 (0.46) KDM4EHPGDMAPTHSD17B10TSHR
SCHEMBL6489955 0.70 ADORA3 (0.44) ADORA2AADORA1KDM4EHPGDMAPT
SCHEMBL940002 0.69 ADORA1 (0.42) ADORA2AADORA1KDM4EHPGDMAPT

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 28/4885KDM4E 4866/4885

“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.