SCHEMBL3796985

SCHEMBL3796985

CC(C)(c1ccc(Cl)cc1)c1nc2cc(-c3ccncc3F)c(-c3cccnc3)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.38
CYP19A1 P11511 3/20 0.37
CYP3A4 P08684 2/20 0.35
ADORA2B P29275 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIKFYVE Q9Y2I7 2/20 0.34
CYP3A5 P20815 1/20 0.34
KCNH2 Q12809 2/20 0.34
AOC3 Q16853 1/20 0.34
MAPK13 O15264 1/20 0.34
GCGR P47871 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
LATS1 O95835 2/20 0.33
LATS2 Q9NRM7 2/20 0.33
DGAT1 O75907 1/20 0.33
PSD A5PKW4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL3788854 0.81 MAPT (0.40) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3789478 0.81 DGAT1 (0.45) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3796986 0.80 AAK1 (0.37) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3789467 0.80 CYP3A4 (0.43) NPY5RCYP3A4ADORA2BCYP2C19
SCHEMBL3786530 0.78 CYP11B1 (0.49) NPY5RCYP3A4ADORA2BCYP2C19KCNH2
SCHEMBL3796993 0.78 IDO1 (0.40) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3790843 0.78 DGAT1 (0.53) NPY5RPIKFYVEKCNH2MAPK13MAPK12
SCHEMBL3796334 0.78 NUDT1 (0.45) NPY5RCYP3A4ADORA2BCYP2C19
SCHEMBL3795336 0.77 EGFR (0.40) NPY5RCYP3A4ADORA2BCYP2C19MAPK13
SCHEMBL3794517 0.77 NPY5R (0.47) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19

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 11 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 claimed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US claimed
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 NPY5R 1505/4885CYP19A1 1422/4885CYP3A4 1582/4885

“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.