SCHEMBL3340808

SCHEMBL3340808

COc1ccc(OCC(C)C)c(-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 4/20 0.51
XDH P47989 8/20 0.46
KDM4E B2RXH2 1/20 0.41
ROCK1 Q13464 4/20 0.40
ROCK2 O75116 3/20 0.40
PDPK1 O15530 2/20 0.37
AURKB Q96GD4 2/20 0.37
PLK4 O00444 1/20 0.37
DCLK1 O15075 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
NTRK1 P04629 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
ROS1 P08922 1/20 0.37
PRKACA P17612 1/20 0.37

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 0.89 XDH (0.44) CDC7XDHROCK1ROCK2AURKB
SCHEMBL3340437 0.89 XDH (0.44) CDC7XDHROCK1ROCK2AURKB
SCHEMBL3339626 0.88 XDH (0.44) CDC7XDHROCK1ROCK2AURKB
SCHEMBL3341820 0.83 CDC7 (0.43) CDC7XDHROCK1ROCK2PDPK1
SCHEMBL3345173 0.83 CDC7 (0.43) CDC7XDHROCK1ROCK2AURKB
SCHEMBL3339532 0.83 XDH (0.47) CDC7XDHKDM4EROCK1ROCK2
SCHEMBL3338536 0.80 CDC7 (0.51) CDC7XDHKDM4EROCK1ROCK2
SCHEMBL3340277 0.78 CDC7 (0.43) CDC7KDM4EROCK2DAPK3JAK2
SCHEMBL3340105 0.78 CDC7 (0.52) CDC7KDM4EROCK1ROCK2PDPK1
SCHEMBL3341933 0.78 KDM4E (0.54) CDC7KDM4EROCK1ROCK2AURKB

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 CDC7 532/4885XDH 283/4885KDM4E 2062/4885

“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.