SCHEMBL3788906

SCHEMBL3788906

Nc1nc(-c2ncco2)c(-c2ccncc2F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.43
ADORA2B P29275 5/20 0.43
ADORA3 P0DMS8 2/20 0.43
CYP2C19 P33261 1/20 0.43
NUDT1 P36639 2/20 0.37
ADORA1 P30542 6/20 0.32
EGFR P00533 1/20 0.32
DHFR P00374 1/20 0.31
CLK1 P49759 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
IDO1 P14902 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
SCHEMBL14547056 0.87 ADORA2A (0.41) ADORA2AADORA2BADORA3CYP2C19NUDT1
SCHEMBL3788909 0.86 ADORA2A (0.32) ADORA2AADORA2BADORA3CYP2C19ADORA1
SCHEMBL3790043 0.83 ADORA2B (0.43) ADORA2AADORA2BCYP2C19ADORA1DHFR
SCHEMBL3792241 0.83 ADORA2A (0.46) ADORA2AADORA2BADORA3CYP2C19NUDT1
SCHEMBL3787415 0.82 ADORA2B (0.42) ADORA2AADORA2BNUDT1ADORA1EGFR
SCHEMBL996390 0.80 ALDH1A1 (0.40) ADORA2AADORA2BNUDT1ADORA1EGFR
SCHEMBL3790899 0.79 ALDH1A1 (0.42) ADORA2AADORA2BCYP2C19ALDH1A1RAB9A
SCHEMBL3790046 0.78 DYRK1A (0.45) ADORA2AADORA2BADORA1DHFRCLK1
SCHEMBL3788901 0.78 ADORA2B (0.37) ADORA2AADORA2BCYP2C19NUDT1DHFR
SCHEMBL13019644 0.76 NR1D1 (0.36) ADORA2AADORA2BADORA3CYP2C19EGFR

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 4 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-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
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US 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 ADORA2A 2/4885ADORA2B 1/4885ADORA3 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.