SCHEMBL386407

SCHEMBL386407

CCN(CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(O)c(C)c3)nc(=O)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.58
CDC7 O00311 1/20 0.58
CSNK2A2 P19784 1/20 0.58
CLK1 P49759 1/20 0.58
GSK3B P49841 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
CSNK2A3 Q8NEV1 1/20 0.58
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL385187 0.92 PIM1 (0.58) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL385754 0.90 CDC7 (0.60) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL383834 0.87 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328298 0.87 CDC7 (0.60) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329414 0.85 PIM1 (0.53) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331037 0.84 CDC7 (0.59) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL12514646 0.84 PIM1 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL385521 0.82 PIM1 (0.60) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330782 0.81 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3332479 0.81 PIM1 (0.69) PIM1CDC7CSNK2A2CLK1GSK3B

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
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US claimed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP claimed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US claimed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 PIM1 429/4885CDC7 536/4885CSNK2A2 3/4885

“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.