SCHEMBL2012739

SCHEMBL2012739

COc1ccc(C(=O)Nc2nc3ccc(I)cc3c(NCc3ccccc3)c2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCD O00767 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
VNN1 O95497 2/20 0.43
TP53 P04637 1/20 0.43
CTNNB1 P35222 2/20 0.43
TCF7L2 Q9NQB0 2/20 0.43
HDAC1 Q13547 2/20 0.43
CFTR P13569 2/20 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
SCHEMBL939862 0.90 ADORA2A (0.47) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL5254988 0.89 ADORA3 (0.53) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL29371671 0.89 ADORA3 (0.53) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL939909 0.89 CTNNB1 (0.49) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL940842 0.88 FLT3 (0.47) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL2011630 0.88 ADORA2A (0.42) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL5784594 0.87 EGFR (0.49) ADORA2AADORA1MAPTSMN1; SMN2KDM4E
SCHEMBL940231 0.87 ADORA2A (0.45) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL940905 0.86 ADORA2A (0.44) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL943367 0.86 ADORA2A (0.44) ADORA2AADORA1LMNAMAPTSMN1; SMN2

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 28/4885LMNA 1459/4885

“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.