SCHEMBL4489939

SCHEMBL4489939

O=c1cc(-c2cccnc2)nc2n(CCCc3ccccc3)ccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.46
BACE1 P56817 1/20 0.43
ADORA2A P29274 1/20 0.42
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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 0.89 GSK3B (0.58) GSK3BHTR1AHTR7
SCHEMBL4495156 0.88 GSK3B (0.47) GSK3BBACE1CYP2A6
SCHEMBL4497896 0.86 GSK3B (0.57) GSK3BBACE1HTR1AHTR7
SCHEMBL4473700 0.82 GSK3B (0.55) GSK3BBACE1DRD2DRD4
SCHEMBL4586932 0.82 GSK3B (0.45) GSK3BCYP2D6HTR1AHTR7
SCHEMBL4498668 0.79 GSK3B (0.49) GSK3BALDH1A1KDM4ENPC1MAPT
SCHEMBL4489759 0.77 GSK3B (0.44) GSK3BALDH1A1KDM4EDRD2
SCHEMBL4484424 0.76 GSK3B (0.46) GSK3BDRD2CYP2D6NPC1MAPT
SCHEMBL4498677 0.75 PIK3CB (0.45) GSK3B
SCHEMBL6746081 0.75 GSK3B (0.47) GSK3BBACE1ADORA2ACYP19A1ALDH1A1

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 7 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
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 4408/4885BACE1 9/4885ADORA2A 345/4885

“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.