SCHEMBL4489695

SCHEMBL4489695

O=c1cc(-c2ccncc2)nc2n(CC[C@@H](O)C(F)(F)F)ccn12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.38
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PSD A5PKW4 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL4483107 1.00 GSK3B (0.38) GSK3BPIK3CDPIK3CBKDM5BPSD
SCHEMBL4483112 1.00 GSK3B (0.38) GSK3BPIK3CDPIK3CBKDM5BPSD
SCHEMBL5671731 0.83 RAD51 (0.40) PIK3CDPIK3CBKDM5BPSD
SCHEMBL4479613 0.81 GSK3B (0.38) GSK3BPIK3CDPIK3CBKDM5BPSD
SCHEMBL4489759 0.77 GSK3B (0.44) GSK3BPIK3CDPIK3CBPSD
SCHEMBL4564942 0.76 GSK3B (0.37) GSK3BPIK3CDPIK3CBKDM5BPSD
SCHEMBL4564940 0.76 GSK3B (0.37) GSK3BPIK3CDPIK3CBKDM5BPSD
SCHEMBL4003131 0.75 GSK3B (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL3997393 0.75 GSK3B (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL3997397 0.75 GSK3B (0.41) GSK3BCYP1A2CYP2D6

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-7608624-B2 1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-pyridinyl-imidazo[1,2-a]pyrimidin-5(1h)-one derivatives SANOFI-AVENTIS (FR) 2009-10-27 US claimed
US-20060148825-A1 1-[Alkyl], 1-[(heteroaryl) alkyl] and 1-[(Aryl)alkyl]-7-pyridinyl-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives SANOFI-AVENTIS (FR) 2006-07-06 US claimed
US-7067521-B2 1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7pyridinyl-imidazo[1,2-alpha]pyrimidin-5(1H)-one derivatives SANOFI-AVENTIS (FR) 2006-06-27 US claimed
EP-1315730-B1 1-(ALKYL), 1-[(HETEROARYL)ALKYL] AND 1-[(ARYL)ALKYL]-7-PYRIDINYL-IMIDAZO(1,2-A)PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI SYNTHELABO (FR) 2004-06-30 EP claimed
EP-1315730-A1 1-(ALKYL), 1-[(HETEROARYL)ALKYL] AND 1-[(ARYL)ALKYL]-7-PYRIDINYL-IMIDAZO(1,2-A)PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-06-04 EP claimed
WO-2002018385-A1 1-[ALKYL], 1-[(HETEROARYL)ALKYL] AND 1-[(ARYL)ALKYL]-7-PYRIDINYL-IMIDAZO[1,2-a]PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-03-07 WO claimed
US-7608624-B2 1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-pyridinyl-imidazo[1,2-a]pyrimidin-5(1h)-one derivatives SANOFI-AVENTIS (FR) 2009-10-27 US disclosed
US-20060148825-A1 1-[Alkyl], 1-[(heteroaryl) alkyl] and 1-[(Aryl)alkyl]-7-pyridinyl-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives SANOFI-AVENTIS (FR) 2006-07-06 US disclosed
EP-1315730-B1 1-(ALKYL), 1-[(HETEROARYL)ALKYL] AND 1-[(ARYL)ALKYL]-7-PYRIDINYL-IMIDAZO(1,2-A)PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI SYNTHELABO (FR) 2004-06-30 EP disclosed
EP-1315730-A1 1-(ALKYL), 1-[(HETEROARYL)ALKYL] AND 1-[(ARYL)ALKYL]-7-PYRIDINYL-IMIDAZO(1,2-A)PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002018385-A1 1-[ALKYL], 1-[(HETEROARYL)ALKYL] AND 1-[(ARYL)ALKYL]-7-PYRIDINYL-IMIDAZO[1,2-a]PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-03-07 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-20060148825-A1 1-[Alkyl], 1-[(heteroaryl) alkyl] and 1-[(Aryl)alkyl]-7-pyridinyl-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives PSEN1, PSEN2, SNCA GSK3B 4408/4885PIK3CD 3965/4885PIK3CB 3924/4885

“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.