SCHEMBL4473538

SCHEMBL4473538

O=c1cc(-c2ccncc2)nc2n(CCCc3ccccc3F)ccn12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
GSK3B P49841 13/20 0.42
PRKACA P17612 2/20 0.38
ROCK2 O75116 2/20 0.38
CDC7 O00311 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK1 Q13464 2/20 0.36
AKT1 P31749 1/20 0.35

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
SCHEMBL4498677 0.88 PIK3CB (0.45) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL4493707 0.88 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL4586356 0.87 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
Hydrochloric Acid SCHEMBL4587373 0.86 GSK3B (0.43) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL4489193 0.85 GSK3B (0.43) GSK3BROCK2KMT2AROCK1
SCHEMBL4480418 0.85 GSK3B (0.58) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL4497896 0.82 GSK3B (0.57) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL4481393 0.81 HTR1A (0.47)
SCHEMBL4473700 0.80 GSK3B (0.55) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL4495156 0.80 GSK3B (0.47) GSK3B

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-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 PIK3CD 3965/4885PIK3CA 2821/4885PIK3CB 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.