SCHEMBL4495156

SCHEMBL4495156

O=c1cc(-c2ccncc2)nc2n(CCCc3cccnc3)ccn12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.47
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
BACE1 P56817 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP2A6 P11509 1/20 0.36

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
SCHEMBL4480418 0.90 GSK3B (0.58) GSK3B
SCHEMBL4489939 0.88 GSK3B (0.46) GSK3BBACE1CYP2A6
SCHEMBL4497896 0.87 GSK3B (0.57) GSK3BBACE1
SCHEMBL4498668 0.85 GSK3B (0.49) GSK3B
SCHEMBL4473700 0.83 GSK3B (0.55) GSK3BBACE1
SCHEMBL4489759 0.82 GSK3B (0.44) GSK3B
SCHEMBL4484424 0.81 GSK3B (0.46) GSK3B
SCHEMBL4498677 0.81 PIK3CB (0.45) GSK3B
SCHEMBL4473538 0.80 PIK3CD (0.45) GSK3B
SCHEMBL4493707 0.80 PIK3CD (0.45) 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 GSK3B 4408/4885HDAC3 1422/4885HDAC4 2388/4885

“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.