SCHEMBL3792241

SCHEMBL3792241

Nc1cc(-c2ccncc2F)c(-c2ncco2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.46
ADORA2B P29275 8/20 0.46
ADORA3 P0DMS8 2/20 0.46
CYP2C19 P33261 1/20 0.46
NUDT1 P36639 2/20 0.42
ADORA1 P30542 7/20 0.33
ATR Q13535 3/20 0.32
ATRIP Q8WXE1 2/20 0.32
CFTR P13569 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
SCHEMBL3788906 0.83 ADORA2A (0.43) ADORA2AADORA2BADORA3CYP2C19NUDT1
SCHEMBL14547056 0.81 ADORA2A (0.41) ADORA2AADORA2BADORA3CYP2C19NUDT1
SCHEMBL3792272 0.80 ADORA2A (0.33) ADORA2AADORA2BADORA1CFTR
SCHEMBL3792264 0.80 ADORA2A (0.46) ADORA2AADORA2BADORA1
SCHEMBL3789774 0.79 ADORA2B (0.44) ADORA2AADORA2BNUDT1ADORA1ATR
SCHEMBL3792248 0.78 ADORA2A (0.32) ADORA2AADORA2BADORA3CYP2C19ADORA1
SCHEMBL994808 0.76 KDM4E (0.43) ADORA2AADORA2BNUDT1ADORA1GABRA1
SCHEMBL3791196 0.76 GAA (0.41) ADORA2AADORA2BNUDT1
SCHEMBL3793082 0.76 ADORA2A (0.45) ADORA2AADORA2BADORA3CYP2C19NUDT1
SCHEMBL3794193 0.75 KDM4E (0.44) ADORA2AADORA2BCYP2C19NUDT1ADORA1

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 9 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-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
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO 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 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.