SCHEMBL4496412

SCHEMBL4496412

O=c1cc(-c2ccncc2)nc2n(CC(O)c3ccc(F)cc3)ccn12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
SCN9A Q15858 2/20 0.36
IDO1 P14902 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4564854 0.85 GSK3B (0.42) GSK3BCYP1A2CYP2D6PIK3CDPIK3CA
SCHEMBL4493476 0.81 CYP26A1 (0.38) GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL4484716 0.80 GSK3B (0.53) GSK3BCYP1A2CYP2D6PIK3CDPIK3CA
SCHEMBL4564852 0.78 GSK3B (0.40) GSK3BPIK3CDPIK3CAPIK3CB
SCHEMBL4587769 0.76 GSK3B (0.40) GSK3BCYP1A2CYP2D6
SCHEMBL4489695 0.75 GSK3B (0.38) GSK3BCYP1A2CYP2D6PIK3CDPIK3CB
SCHEMBL4483107 0.75 GSK3B (0.38) GSK3BCYP1A2CYP2D6PIK3CDPIK3CB
SCHEMBL4483112 0.75 GSK3B (0.38) GSK3BCYP1A2CYP2D6PIK3CDPIK3CB
SCHEMBL4564940 0.73 GSK3B (0.37) GSK3BCYP1A2CYP2D6PIK3CDPIK3CA
SCHEMBL4564942 0.73 GSK3B (0.37) GSK3BCYP1A2CYP2D6PIK3CDPIK3CA

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 10 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
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 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

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 4408/4885CYP1A2 782/4885CYP2D6 1406/4885

“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.