SCHEMBL3338542

SCHEMBL3338542

CC(C)COc1ccccc1-c1cc(-c2ccc(-c3ccccc3)o2)nc(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 2/20 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
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
ELANE P08246 1/20 0.38
CDC7 O00311 4/20 0.38
PIM1 P11309 2/20 0.38
CSNK2A2 P19784 1/20 0.36
CLK1 P49759 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36

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
SCHEMBL3340787 0.84 PDE5A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3340238 0.80 PIM1 (0.43) ALDH1A1HPGDHSD17B10PDE5APDE4A
SCHEMBL14023022 0.78 PIM1 (0.55) KDM4EPDE5APDE4APDE4BPDE4C
SCHEMBL3342615 0.77 TP53 (0.43) KDM4EALDH1A1HPGDHSD17B10PDE5A
SCHEMBL386224 0.77 PIM1 (0.67) KDM4EPDE5APDE4APDE4BPDE4C
SCHEMBL3340375 0.74 XDH (0.45) KDM4EPDE5APDE4APDE4BPDE4C
SCHEMBL3340593 0.74 XDH (0.52) CDC7PIM1XDH
SCHEMBL3339626 0.74 XDH (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3342410 0.72 CDC7 (0.41) KDM4EPDE5APDE4APDE4BPDE4C
SCHEMBL3340028 0.71 CDC7 (0.45) ALDH1A1HSD17B10CDC7PIM1GSK3B

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 10 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-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 KDM4E 2062/4885ALDH1A1 4502/4885HPGD 2691/4885

“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.