SCHEMBL4587018

SCHEMBL4587018

O=c1cc(-c2ccncn2)nc2n(CCc3cccc(Cl)c3)ccn12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
GSK3B P49841 13/20 0.43
CYP2D6 P10635 3/20 0.41
GRM5 P41594 1/20 0.38
KCNN4 O15554 1/20 0.38
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 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
SCHEMBL4587757 0.88 PIK3CD (0.45) PIK3CDPIK3CBGSK3BCYP2D6CYP1A2
SCHEMBL4588715 0.83 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL4586932 0.82 GSK3B (0.45) GSK3BCYP2D6
SCHEMBL4589041 0.82 GSK3B (0.43) PIK3CDPIK3CBGSK3BCYP2D6CYP1A2
SCHEMBL4587845 0.80 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL4586418 0.80 GSK3B (0.46) GSK3BCYP2D6GRM5CYP1A2
SCHEMBL4587236 0.80 PIK3CD (0.45) PIK3CDPIK3CBGSK3BCYP2D6CYP1A2
SCHEMBL4588720 0.79 GSK3B (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL4586719 0.77 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL4586356 0.75 PIK3CD (0.43) PIK3CDPIK3CBGSK3BCYP2D6CYP1A2

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 PIK3CD 417/4885PIK3CB 411/4885GSK3B 1/4885
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 PIK3CD 903/4885PIK3CB 1137/4885GSK3B 3/4885

“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.