SCHEMBL3345441

SCHEMBL3345441

CCCNc1n[nH]c2ccc(-c3cc(-c4ccccc4)[nH]c(=O)n3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 17/20 0.53
GSK3B P49841 4/20 0.53
PIM1 P11309 3/20 0.53
CSNK2A1 P68400 3/20 0.53
GSK3A P49840 2/20 0.53
MAPK13 O15264 2/20 0.53
DAPK3 O43293 2/20 0.53
ROCK2 O75116 2/20 0.53
PRKD3 O94806 2/20 0.53
CDK1 P06493 2/20 0.53
RPS6KB1 P23443 2/20 0.53
CDK2 P24941 2/20 0.53
MAPK1 P28482 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CSNK1D P48730 2/20 0.53
MAPKAPK2 P49137 2/20 0.53
CLK2 P49760 2/20 0.53
IRAK1 P51617 2/20 0.53
MAPK12 P53778 2/20 0.53
CSNK1G2 P78368 2/20 0.53

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
SCHEMBL3337518 0.82 CDC7 (0.40) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL5427424 0.80 CDC7 (0.61) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL14338781 0.80 CDC7 (0.64) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL383302 0.79 CDC7 (0.62) CDC7GSK3BPIM1CSNK2A1GSK3A
Hydrochloric Acid SCHEMBL383449 0.78 CDC7 (0.61) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL3341849 0.74 CDC7 (0.40) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL3340028 0.73 CDC7 (0.45) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL28544732 0.70 KDM4E (1.00) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL3342410 0.70 CDC7 (0.41) CDC7GSK3BPIM1CSNK2A1GSK3A
SCHEMBL3345741 0.70 CDC7 (0.45) CDC7GSK3BPIM1CSNK2A1GSK3A

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
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
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 532/4885GSK3B 422/4885PIM1 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.