SCHEMBL3340277

SCHEMBL3340277

COc1cccc(CNc2n[nH]c3ccc(-c4cc(-c5ccccc5OCC(C)C)[nH]c(=O)n4)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.43
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.40
CDK2 P24941 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
PRKACA P17612 2/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PAK4 O96013 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
PRKX P51817 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP4K2 Q12851 1/20 0.40
CAMK2D Q13557 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL3340028 0.92 CDC7 (0.45) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3342143 0.88 CDC7 (0.41) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL14023052 0.87 CDC7 (0.40) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3338635 0.87 CDC7 (0.40) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3337518 0.85 CDC7 (0.40) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3342410 0.85 CDC7 (0.41) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3341849 0.85 CDC7 (0.40) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3345741 0.83 CDC7 (0.45) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3338698 0.82 MAPK1 (0.41) CDC7ROCK2MAP4K4CDK2HIPK2
SCHEMBL3339497 0.81 GSK3B (0.45) CDC7ROCK2MAP4K4CDK2HIPK2

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 532/4885ROCK2 754/4885MAP4K4 99/4885

“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.