SCHEMBL3338697

SCHEMBL3338697

CC(C)COc1ccccc1-c1cc(-c2ccc3[nH]nc(NC(=O)CN(C)C)c3c2)nc(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.49
PIM1 P11309 5/20 0.49
CDC7 O00311 5/20 0.49
AURKB Q96GD4 4/20 0.49
CDK2 P24941 4/20 0.49
CLK4 Q9HAZ1 4/20 0.49
MAPK1 P28482 3/20 0.49
MAPK13 O15264 3/20 0.49
DAPK3 O43293 3/20 0.49
PRKD3 O94806 3/20 0.49
CDK1 P06493 3/20 0.49
MAPK9 P45984 3/20 0.49
CDK8 P49336 3/20 0.49
CLK2 P49760 3/20 0.49
MAPK12 P53778 3/20 0.49
CDK5 Q00535 3/20 0.49
DYRK1A Q13627 3/20 0.49
HIPK4 Q8NE63 3/20 0.49
MAP4K5 Q9Y4K4 3/20 0.49
HIPK2 Q9H2X6 3/20 0.49

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
SCHEMBL3339497 0.92 GSK3B (0.45) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL13305018 0.91 DYRK1A (0.40) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL3342410 0.86 CDC7 (0.41) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL3338698 0.86 MAPK1 (0.41) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL14080581 0.85 CDC7 (0.34) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL3338699 0.84 PIM1 (0.36) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL3340028 0.83 CDC7 (0.45) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL3337518 0.83 CDC7 (0.40) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL14080580 0.83 MAPK1 (0.36) GSK3BPIM1CDC7AURKBCDK2
SCHEMBL3341849 0.83 CDC7 (0.40) GSK3BPIM1CDC7AURKBCDK2

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 11 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-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
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 GSK3B 422/4885PIM1 579/4885CDC7 532/4885

“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.