SCHEMBL995132

SCHEMBL995132

O=c1[nH]c2cc(-c3ccncc3F)c(-c3ccccc3F)nc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.44
PDE3A Q14432 8/20 0.44
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
PDE2A O00408 2/20 0.41
PIM1 P11309 3/20 0.41
WNT1 P04628 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
CLK2 P49760 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK3 P49761 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL995256 0.90 IDO1 (0.46) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3977258 0.89 IDO1 (0.41) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL12950973 0.86 ADORA2A (0.40) ADORA2AADORA2BADORA1PIM1WNT1
SCHEMBL995648 0.85 PDE3B (0.43) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3789858 0.85 PDE3B (0.59) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3791332 0.85 PDE3B (0.46) PDE3BPDE3AADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL994782 0.84 PDE3B (0.42) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL20675105 0.81 ADORA2A (0.45) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3791730 0.80 ADORA2A (0.47) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL20675233 0.77 NUDT1 (0.48) ADORA2AADORA2BADORA1PIM1F10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125804-B1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-01-26 EP claimed
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 US claimed
EP-2125804-B1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-01-26 EP disclosed
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 US disclosed
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 US disclosed
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 US disclosed
WO-2008080461-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-10 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-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE3B 61/4885PDE3A 77/4885ADORA2A 2/4885

“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.