SCHEMBL3796986

SCHEMBL3796986

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.37
NPY5R Q15761 4/20 0.37
CYP19A1 P11511 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA2B P29275 1/20 0.35
CYP2C19 P33261 1/20 0.35
KIT P10721 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KCNH2 Q12809 1/20 0.33
AOC3 Q16853 1/20 0.33
MAPK13 O15264 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
SCHEMBL3069485 0.84 ADORA2B (0.39) AAK1NPY5RCYP19A1AKR1C3AKR1C2
SCHEMBL3796985 0.80 NPY5R (0.38) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3788854 0.80 MAPT (0.40) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3789467 0.79 CYP3A4 (0.43) NPY5RCYP3A4ADORA2BCYP2C19KMT2A
SCHEMBL3786530 0.78 CYP11B1 (0.49) NPY5RCYP3A4ADORA2BCYP2C19KCNH2
SCHEMBL3796993 0.77 IDO1 (0.40) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3796334 0.77 NUDT1 (0.45) NPY5RATRCYP3A4ADORA2BCYP2C19
SCHEMBL3795336 0.76 EGFR (0.40) NPY5RCYP3A4ADORA2BCYP2C19MAPK13
SCHEMBL3794517 0.76 NPY5R (0.47) NPY5RCYP19A1CYP3A4ADORA2BCYP2C19
SCHEMBL3791710 0.76 CYP11B1 (0.44) 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 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 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
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 AAK1 777/4885NPY5R 1505/4885CYP19A1 1422/4885

“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.