SCHEMBL4586737

SCHEMBL4586737

O=C(Cn1ccn2c(=O)cc(-c3ccncn3)nc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.44
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
EGFR P00533 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 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
SCHEMBL4486838 0.86 GSK3B (0.52) GSK3BCYP2D6CYP3A4CYP1A2MKNK1
SCHEMBL4484628 0.81 GSK3B (0.47) GSK3BSMN1; SMN2
SCHEMBL4586932 0.81 GSK3B (0.45) GSK3BCYP2D6
SCHEMBL4587769 0.80 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL4587236 0.76 PIK3CD (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL4491802 0.76 GSK3B (0.44) GSK3BSMN1; SMN2POLB
SCHEMBL4483978 0.76 KDM4E (0.44) GSK3BSMN1; SMN2CYP1A2
SCHEMBL3571092 0.76 GSK3B (0.49) GSK3BCYP2D6CYP1A2
SCHEMBL4586356 0.76 PIK3CD (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4473455 0.75 GSK3B (0.42) GSK3BSMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318980-A1 USE OF 7-(PYRIMIDIN-4 YL)-IMIDAZO[1,2-a]PYRIMIDIN-5(1H)-ONES AS GSK-3BETA INHIBITORS SANOFI-AVENTIS (FR) 2008-12-25 US claimed
US-7429663-B2 7-(Pyrimidin-4-yl)-Imidazo[1,2-a]Pyrimidin-5(1H)-ones as GSK3β inhibitors SANOFI-AVENTIS (FR) 2008-09-30 US claimed
EP-1480981-B1 1-(ALKYL), 1-(HETEROARYL)ALKYL AND 1-[(ARYL)ALKYL]-7-(PYRIMIDIN-4-YL)-IMIDAZO[1,2-A]PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-11-09 EP claimed
US-20050119280-A1 1-[alkyl 1-[heteroaryl )alkyl] and 1-[ aryl) alkyl]-7-( pyrimidin-4-yl) imadazo [1,2-a] pyrimidin-5(1h)-one derivatives SANOFI (FR) 2005-06-02 US claimed
EP-1480981-A1 1-(ALKYL), 1-(HETEROARYL)ALKYL AND 1-[(ARYL)ALKYL]-7-(PYRIMIDIN-4-YL)-IMIDAZO[1,2-A]PYRIMIDIN-5(1H)-ONE DERIVATIVES Sanofi-Aventis (FR) 2004-12-01 EP claimed
WO-2003072580-A1 1-[ALKYL], 1-[HETEROARYL)ALKYL] AND 1-[ARYL)ALKYL]-7-(PYRIMIDIN-4-YL)-IMADAZO[1,2-a]PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2003-09-04 WO claimed
EP-1340759-A1 1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-(pyrimidin-4-yl)-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP claimed
US-20080318980-A1 USE OF 7-(PYRIMIDIN-4 YL)-IMIDAZO[1,2-a]PYRIMIDIN-5(1H)-ONES AS GSK-3BETA INHIBITORS SANOFI-AVENTIS (FR) 2008-12-25 US disclosed
US-7429663-B2 7-(Pyrimidin-4-yl)-Imidazo[1,2-a]Pyrimidin-5(1H)-ones as GSK3β inhibitors SANOFI-AVENTIS (FR) 2008-09-30 US disclosed
EP-1480981-B1 1-(ALKYL), 1-(HETEROARYL)ALKYL AND 1-[(ARYL)ALKYL]-7-(PYRIMIDIN-4-YL)-IMIDAZO[1,2-A]PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-20050119280-A1 1-[alkyl 1-[heteroaryl )alkyl] and 1-[ aryl) alkyl]-7-( pyrimidin-4-yl) imadazo [1,2-a] pyrimidin-5(1h)-one derivatives SANOFI (FR) 2005-06-02 US disclosed
EP-1340759-A1 1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-(pyrimidin-4-yl)-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 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 (2 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-20080318980-A1 USE OF 7-(PYRIMIDIN-4 YL)-IMIDAZO[1,2-a]PYRIMIDIN-5(1H)-ONES AS GSK-3BETA INHIBITORS GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP2D6 2274/4885CYP3A4 2603/4885
US-20050119280-A1 1-[alkyl 1-[heteroaryl )alkyl] and 1-[ aryl) alkyl]-7-( pyrimidin-4-yl) imadazo [1,2-a] pyrimidin-5(1h)-one derivatives PSEN1, GSK3A, GSK3B GSK3B 3/4885CYP2D6 1401/4885CYP3A4 1915/4885

“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.