SCHEMBL996753

SCHEMBL996753

O=c1[nH]c2cc(-c3ccncc3)c(-c3ccccc3)nc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.64
PDE3A Q14432 9/20 0.64
PDE2A O00408 1/20 0.50
GSK3B P49841 2/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
PIM1 P11309 1/20 0.48
FER P16591 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
SYK P43405 1/20 0.48
GSK3A P49840 1/20 0.48

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
SCHEMBL3791671 0.94 PDE3B (0.71) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL4051449 0.86 PDE3B (0.57) PDE3BPDE3APDE2AGSK3BPLK4
SCHEMBL4051061 0.82 PDE3B (0.59) PDE3BPDE3APDE2ACDK5ADORA2A
SCHEMBL3789858 0.79 PDE3B (0.59) PDE3BPDE3APDE2AGSK3BMAP4K4
SCHEMBL3798702 0.79 PDE3B (0.59) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL3799092 0.79 PDE3B (0.55) PDE3BPDE3APDE2AGSK3BADORA2A
SCHEMBL2463204 0.78 PDE3B (1.00) PDE3BPDE3A
SCHEMBL3794180 0.78 PDE3B (0.57) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL3794505 0.78 PDE3B (0.57) PDE3BPDE3APDE2AADORA2AADORA1
SCHEMBL20657833 0.78 PDE3B (0.64) PDE3BPDE3AGSK3BADORA2AADORA1

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 3 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 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 77/4885PDE2A 81/4885

“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.