SCHEMBL13019644

SCHEMBL13019644

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3ncco3)c(-c3ccncc3F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.36
NR1H3 Q13133 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC2A1 P11166 2/20 0.33
NPC1 O15118 1/20 0.33
RPS6KA3 P51812 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PTGES O14684 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL13019642 0.82 MAPT (0.40) NR1D1NR1H3POLBMAPTALDH1A1
SCHEMBL13019641 0.76 NPC1 (0.40) NR1D1NR1H3CYP2C19POLBMAPT
SCHEMBL3788906 0.76 ADORA2A (0.43) ADORA3ADORA2AADORA2BCYP2C19POLB
SCHEMBL14547056 0.72 ADORA2A (0.41) ADORA3ADORA2AADORA2BCYP2C19
SCHEMBL14547054 0.69 MAPK8 (0.39) CYP2C19MAPTALDH1A1KDM4EGPBAR1
SCHEMBL25227436 0.67 KMT2A (0.49) POLBMAPTALDH1A1SLC2A1NPC1
SCHEMBL30473818 0.67 KMT2A (0.49) POLBMAPTALDH1A1SLC2A1NPC1
SCHEMBL30558103 0.67 PIN1 (0.49) ALDH1A1NPC1TXNRD1
SCHEMBL3787500 0.65 MERTK (0.59) POLBMAPTHTTALDH1A1NPC1
SCHEMBL4823648 0.65 NPC1 (0.44) MAPTGAAHTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 NR1D1 1446/4885NR1H3 2083/4885ADORA3 4/4885

“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.