SCHEMBL4476686

SCHEMBL4476686

CCOC(=O)N1CCC(C2CCn3c(nc(-c4ccncc4)cc3=O)N2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 2/20 0.44
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TRPC3 Q13507 2/20 0.42
TRPC7 Q9HCX4 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
P2RY12 Q9H244 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL3961811 0.88 GPR119 (0.49) KDM4EHPGDALDH1A1NPSR1HTT
SCHEMBL3959225 0.86 CYP2C9 (0.37) KDM4EALDH1A1NPSR1CDC7ROCK2
SCHEMBL3962773 0.83 GSK3B (0.43) GSK3B
SCHEMBL3962814 0.80 GSK3B (0.42) CDC7GSK3B
SCHEMBL4421551 0.78 CDC7 (0.46) KDM4EHPGDALDH1A1NPSR1HSD17B10
SCHEMBL4872195 0.76 GSK3B (0.41) CDC7ROCK2PIM1GSK3BHIPK2
SCHEMBL4428471 0.75 CDC7 (0.44) KDM4EHPGDALDH1A1NPSR1HSD17B10
SCHEMBL914861 0.74 CDC7 (0.47) KDM4EHPGDALDH1A1NPSR1HSD17B10
SCHEMBL4865548 0.74 GSK3B (0.46) CDC7GSK3B
SCHEMBL915676 0.71 GSK3B (0.44) KDM4EHPGDALDH1A1NPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281121-A1 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-11-12 US 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-20090281121-A1 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES PSEN2, PSEN1, GSK3A KDM4E 1833/4885HPGD 1955/4885ALDH1A1 900/4885

“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.