SCHEMBL3789467

SCHEMBL3789467

Cc1nc2cc(-c3ccncc3F)c(-c3cccnc3)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
ADORA2B P29275 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPY5R Q15761 3/20 0.42
CYP11B1 P15538 3/20 0.38
CYP2A6 P11509 2/20 0.37
CYP11B2 P19099 2/20 0.37
MAP2K4 P45985 1/20 0.36
KMT2A Q03164 1/20 0.36
CDC7 O00311 1/20 0.36
TDO2 P48775 1/20 0.36
PIM1 P11309 1/20 0.35
NUDT1 P36639 2/20 0.35

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
SCHEMBL3786530 0.87 CYP11B1 (0.49) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3796334 0.86 NUDT1 (0.45) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3795336 0.85 EGFR (0.40) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3791710 0.85 CYP11B1 (0.44) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3794517 0.85 NPY5R (0.47) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3786314 0.85 CYP11B1 (0.41) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3794532 0.84 CYP11B1 (0.44) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3791203 0.84 ADORA2B (0.39) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3791752 0.84 CYP3A4 (0.40) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1
SCHEMBL3790745 0.83 CYP11B1 (0.48) CYP3A4ADORA2BCYP2C19NPY5RCYP11B1

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 CYP3A4 1582/4885ADORA2B 1/4885CYP2C19 1080/4885

“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.