SCHEMBL4586719

SCHEMBL4586719

COc1ccccc1CCn1ccn2c(=O)cc(-c3ccncn3)nc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.53
CYP1A2 P05177 6/20 0.45
CYP2D6 P10635 6/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
TSHR P16473 3/20 0.44
CYP2C19 P33261 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL4587651 0.90 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL4588003 0.89 GSK3B (0.42) GSK3BCYP1A2CYP2D6CYP3A4
SCHEMBL4484075 0.87 GSK3B (0.44) GSK3BCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL4587236 0.84 PIK3CD (0.45) GSK3BCYP1A2CYP2D6
SCHEMBL4587845 0.82 GSK3B (0.46) GSK3BCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL4489193 0.82 GSK3B (0.43) GSK3BCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL4588715 0.80 GSK3B (0.44) GSK3BCYP2D6CYP3A4
SCHEMBL4586356 0.80 PIK3CD (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL4589041 0.79 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL4586932 0.79 GSK3B (0.45) GSK3BCYP2D6

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-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-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 1/4885CYP1A2 1510/4885CYP2D6 2274/4885
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 3/4885CYP1A2 402/4885CYP2D6 1401/4885

“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.