SCHEMBL3339532

SCHEMBL3339532

COc1cccc(OCC(C)C)c1-c1cc(-c2ccc3[nH]nc(N)c3c2)nc(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.47
CDC7 O00311 6/20 0.41
JAK2 O60674 2/20 0.40
ROCK1 Q13464 5/20 0.39
ROCK2 O75116 4/20 0.39
AURKB Q96GD4 3/20 0.39
MAPK13 O15264 2/20 0.39
DAPK3 O43293 2/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
CDK1 P06493 2/20 0.39
RPS6KB1 P23443 2/20 0.39
CDK2 P24941 2/20 0.39
MAPK1 P28482 2/20 0.39
CLK2 P49760 2/20 0.39
GSK3B P49841 2/20 0.39
IRAK1 P51617 2/20 0.39
MAPK12 P53778 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CSNK1G2 P78368 2/20 0.39

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
SCHEMBL3339626 0.86 XDH (0.44) XDHCDC7JAK2ROCK1ROCK2
SCHEMBL3340808 0.83 CDC7 (0.51) XDHCDC7JAK2ROCK1ROCK2
SCHEMBL3338536 0.83 CDC7 (0.51) XDHCDC7JAK2ROCK1ROCK2
SCHEMBL3341820 0.82 CDC7 (0.43) XDHCDC7JAK2ROCK1ROCK2
SCHEMBL3338671 0.82 XDH (0.44) XDHCDC7JAK2ROCK1ROCK2
SCHEMBL3340437 0.81 XDH (0.44) XDHCDC7JAK2ROCK1ROCK2
SCHEMBL3345173 0.81 CDC7 (0.43) XDHCDC7JAK2ROCK1ROCK2
SCHEMBL3340105 0.80 CDC7 (0.52) CDC7JAK2ROCK1ROCK2AURKB
SCHEMBL14022938 0.80 XDH (0.47) XDHCDC7DHODHCXCL12KDM4E
SCHEMBL3341933 0.77 KDM4E (0.54) CDC7JAK2ROCK1ROCK2AURKB

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
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

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 XDH 283/4885CDC7 532/4885JAK2 23/4885

“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.