SCHEMBL3343353

SCHEMBL3343353

Nc1n[nH]c2ccc(-c3cc(-c4ccccc4OCC4CC4)[nH]c(=O)n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
JAK2 O60674 4/20 0.40
JAK3 P52333 2/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
FEN1 P39748 1/20 0.39
PIM1 P11309 3/20 0.39
MAPK13 O15264 2/20 0.39
DAPK3 O43293 2/20 0.39
ROCK2 O75116 2/20 0.39
CDK1 P06493 2/20 0.39
FGFR1 P11362 2/20 0.39
CDK2 P24941 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
SCHEMBL3340548 0.95 PIM1 (0.42) CDC7SCN5ASCN9AJAK2JAK3
SCHEMBL3343878 0.86 CDC7 (0.44) CDC7SCN5ASCN9AJAK2JAK3
SCHEMBL3339626 0.84 XDH (0.44) CDC7SCN5ASCN9AJAK2JAK3
SCHEMBL3340105 0.84 CDC7 (0.52) CDC7JAK2JAK3JAK1TYK2
SCHEMBL3338667 0.81 CDC7 (0.47) CDC7SCN5ASCN9AJAK2JAK3
SCHEMBL3340296 0.80 CDC7 (0.49) CDC7JAK2PIM1MAPK13DAPK3
SCHEMBL3338793 0.78 PIM1 (0.50) CDC7JAK2JAK3JAK1TYK2
SCHEMBL3345741 0.78 CDC7 (0.45) CDC7PDE5APDE4APDE4BPDE4C
SCHEMBL3341820 0.77 CDC7 (0.43) CDC7JAK2JAK3TYK2MAPK13
SCHEMBL383302 0.77 CDC7 (0.62) CDC7JAK2JAK3JAK1TYK2

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 532/4885SCN5A 2365/4885SCN9A 2741/4885

“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.