SCHEMBL2488484

SCHEMBL2488484

COC(=O)N1CCCCC(Nc2nc(-c3ccncc3)cc(=O)n2C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.51
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
CDC7 O00311 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
MAPK1 P28482 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL2489723 0.97 GSK3B (0.49) GSK3BJAK2JAK3CYP2D6CYP1A2
SCHEMBL2486151 0.97 GSK3B (0.49) GSK3BJAK2JAK3CYP2D6CYP1A2
SCHEMBL2490087 0.93 GSK3B (0.49) GSK3BJAK2JAK3CYP2D6CYP1A2
SCHEMBL2491879 0.91 USP30 (0.51) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL2490520 0.90 GSK3B (0.52) GSK3BJAK2JAK3CDC7DYRK3
SCHEMBL2485441 0.90 GSK3B (0.49) GSK3BJAK2JAK3CDC7DYRK3
SCHEMBL2488257 0.89 GSK3B (0.50) GSK3BCYP2D6CYP1A2
SCHEMBL2489770 0.88 USP30 (0.52) GSK3BPIM1USP30
SCHEMBL12207256 0.87 GSK3B (0.51) GSK3BCYP2D6CYP1A2KMT2A
SCHEMBL2487613 0.87 GSK3B (0.51) GSK3BJAK2JAK3CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885JAK2 66/4885JAK3 6/4885

“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.