SCHEMBL3339998

SCHEMBL3339998

Cc1cc(-c2cc(-c3nccn3C)[nH]c(=O)n2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.63
PIM1 P11309 3/20 0.63
GSK3B P49841 2/20 0.63
CSNK2A1 P68400 2/20 0.63
CSNK2A2 P19784 1/20 0.63
CLK1 P49759 1/20 0.63
CSNK2B P67870 1/20 0.63
CSNK2A3 Q8NEV1 1/20 0.63
CXCL12 P48061 1/20 0.45
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MYC P01106 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
ESR1 P03372 2/20 0.35
FGFR1 P11362 2/20 0.35

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
SCHEMBL13305082 0.79 CDC7 (0.79) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL385819 0.79 CDC7 (0.82) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL386108 0.79 CDC7 (0.82) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL3325977 0.78 PIM1 (0.49) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL10165675 0.78 CDC7 (1.00) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL11915777 0.77 CDC7 (0.79) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL383356 0.77 CDC7 (0.79) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL385566 0.77 CDC7 (0.79) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL3340285 0.77 GSK3B (0.70) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL3327525 0.76 CDC7 (0.66) CDC7PIM1GSK3BCSNK2A1CSNK2A2

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 16 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
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 532/4885PIM1 579/4885GSK3B 422/4885

“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.