SCHEMBL3339626

SCHEMBL3339626

CC(C)COc1ccccc1-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 0.44
CDC7 O00311 5/20 0.43
PIM1 P11309 2/20 0.41
JAK2 O60674 4/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
JAK1 P23458 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
MAPK13 O15264 2/20 0.39
DAPK3 O43293 2/20 0.39
ROCK2 O75116 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

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
SCHEMBL3338671 0.90 XDH (0.44) XDHCDC7JAK2TYK2JAK3
SCHEMBL3341820 0.90 CDC7 (0.43) XDHCDC7JAK2TYK2JAK3
SCHEMBL3343878 0.89 CDC7 (0.44) CDC7PIM1JAK2TYK2JAK3
SCHEMBL3342410 0.88 CDC7 (0.41) XDHCDC7PIM1MAPK13DAPK3
SCHEMBL3345173 0.88 CDC7 (0.43) XDHCDC7JAK2TYK2JAK3
SCHEMBL3340437 0.88 XDH (0.44) XDHCDC7PIM1JAK2TYK2
SCHEMBL3340808 0.88 CDC7 (0.51) XDHCDC7JAK2TYK2JAK3
SCHEMBL14023056 0.88 PIM1 (0.41) XDHCDC7PIM1MAPK13DAPK3
SCHEMBL3339532 0.86 XDH (0.47) XDHCDC7PIM1JAK2TYK2
SCHEMBL3340105 0.86 CDC7 (0.52) CDC7PIM1JAK2TYK2JAK3

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 14 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

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 532/4885PIM1 579/4885

“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.