SCHEMBL3337518

SCHEMBL3337518

CCCNc1n[nH]c2ccc(-c3cc(-c4ccccc4OCC(C)C)[nH]c(=O)n3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.40
PIM1 P11309 3/20 0.37
GSK3B P49841 3/20 0.36
GSK3A P49840 2/20 0.36
XDH P47989 4/20 0.36
MAPK13 O15264 2/20 0.36
DAPK3 O43293 2/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
FLT4 P35916 2/20 0.36
CLK2 P49760 2/20 0.36
MAPK12 P53778 2/20 0.36
CDK5 Q00535 2/20 0.36
PRKAA1 Q13131 2/20 0.36
DYRK1A Q13627 2/20 0.36
HIPK4 Q8NE63 2/20 0.36
AURKB Q96GD4 2/20 0.36
CLK4 Q9HAZ1 2/20 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
SCHEMBL3341849 0.93 CDC7 (0.40) CDC7PIM1GSK3BGSK3AXDH
SCHEMBL3340028 0.90 CDC7 (0.45) CDC7PIM1GSK3BGSK3AMAPK13
SCHEMBL3342410 0.90 CDC7 (0.41) CDC7PIM1GSK3BGSK3AXDH
SCHEMBL3342143 0.88 CDC7 (0.41) CDC7PIM1DAPK3PRKD3MAP4K4
SCHEMBL3345741 0.88 CDC7 (0.45) CDC7PIM1GSK3BGSK3AXDH
SCHEMBL3338635 0.87 CDC7 (0.40) CDC7PIM1GSK3BGSK3AXDH
SCHEMBL14023052 0.87 CDC7 (0.40) CDC7PIM1GSK3BGSK3AXDH
SCHEMBL3339497 0.87 GSK3B (0.45) CDC7PIM1GSK3BGSK3AMAPK13
SCHEMBL3338698 0.87 MAPK1 (0.41) CDC7PIM1GSK3BGSK3AXDH
SCHEMBL14080580 0.87 MAPK1 (0.36) CDC7PIM1GSK3BGSK3AXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP claimed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US claimed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US claimed
EP-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP claimed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO claimed
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
EP-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 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-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK2A2, CSNK1A1 CDC7 532/4885PIM1 579/4885GSK3B 422/4885

“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.