SCHEMBL3338536

SCHEMBL3338536

CC(C)COc1cccc(-c2cc(-c3ccc4[nH]nc(N)c4c3)nc(=O)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.51
XDH P47989 3/20 0.44
BTK Q06187 1/20 0.43
JAK2 O60674 4/20 0.42
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
AKT1 P31749 1/20 0.42
MAPK13 O15264 2/20 0.41
DAPK3 O43293 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
CDK1 P06493 2/20 0.41
RPS6KB1 P23443 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK1 P28482 2/20 0.41
CLK2 P49760 2/20 0.41
GSK3B P49841 2/20 0.41
IRAK1 P51617 2/20 0.41
MAPK12 P53778 2/20 0.41
CSNK2A1 P68400 2/20 0.41

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
SCHEMBL3341933 0.86 KDM4E (0.54) CDC7JAK2ROCK2ROCK1MAPK13
SCHEMBL3339626 0.83 XDH (0.44) CDC7XDHJAK2ROCK2ROCK1
SCHEMBL3339532 0.83 XDH (0.47) CDC7XDHJAK2ROCK2ROCK1
SCHEMBL3343101 0.83 CDC7 (0.48) CDC7JAK2ROCK2ROCK1AKT1
SCHEMBL3340296 0.82 CDC7 (0.49) CDC7JAK2ROCK2ROCK1AKT1
SCHEMBL3340808 0.80 CDC7 (0.51) CDC7XDHJAK2ROCK2ROCK1
SCHEMBL383302 0.80 CDC7 (0.62) CDC7JAK2ROCK2ROCK1AKT1
SCHEMBL3338671 0.79 XDH (0.44) CDC7XDHJAK2ROCK2ROCK1
SCHEMBL3340437 0.79 XDH (0.44) CDC7XDHJAK2ROCK2ROCK1
SCHEMBL3345173 0.79 CDC7 (0.43) CDC7XDHJAK2ROCK2ROCK1

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 13 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
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 532/4885XDH 283/4885BTK 208/4885

“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.