SCHEMBL3339712

SCHEMBL3339712

O=c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cc(-c2ccccc2Cl)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.64
GRIA1 P42261 8/20 0.51
CACNG8 Q8WXS5 8/20 0.51
CDC7 O00311 6/20 0.51
GSK3B P49841 2/20 0.47
CSNK2A1 P68400 2/20 0.47
MAPK13 O15264 1/20 0.47
DAPK3 O43293 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
FGFR1 P11362 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK1 P28482 1/20 0.47
FLT4 P35916 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
MAPKAPK2 P49137 1/20 0.47

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
SCHEMBL3332894 0.81 PIM1 (0.59) PIM1GRIA1CACNG8CDC7GSK3B
SCHEMBL18190441 0.79 GRIA1 (0.68) GRIA1CACNG8DYRK1AALDH1A1HPGD
SCHEMBL27823252 0.79 PIM1 (0.63) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL386562 0.78 PIM1 (1.00) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL3340046 0.78 IDO1 (0.47) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL4019927 0.76 PIM1 (0.59) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL3327759 0.75 PIM1 (0.58) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL3330003 0.72 PIM1 (0.54) PIM1CDC7KDM4EALDH1A1HPGD
SCHEMBL28793366 0.72 PIM1 (0.53) PIM1CDC7GSK3BCSNK2A1MAPK13
SCHEMBL3757426 0.70 PIK3C3 (0.51) PIM1MAPK1KDM4EALDH1A1HPGD

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-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-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 PIM1 579/4885GRIA1 1626/4885CACNG8 2810/4885

“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.