SCHEMBL383422

SCHEMBL383422

COCCCOc1ccccc1-c1cc(-c2ccc(O)c(C)c2)nc[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
REN P00797 1/20 0.35
GAA P10253 1/20 0.35
FABP4 P15090 1/20 0.34
CDC7 O00311 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
FABP3 P05413 2/20 0.33
TLR8 Q9NR97 2/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL383607 0.91 PIM1 (0.38) PIM1ESR1ESR2FABP4CDC7
SCHEMBL385438 0.90 PIM1 (0.41) PIM1ESR1ESR2KDM4ECDC7
SCHEMBL385119 0.87 IDO1 (0.41) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL385739 0.87 IDO1 (0.43) PIM1ESR1ESR2CDC7CSNK2A2
SCHEMBL385515 0.86 ESR1 (0.38) PIM1ESR1ESR2KDM4E
SCHEMBL386149 0.85 PIM1 (0.38) PIM1ESR1ESR2CDC7CSNK2A2
SCHEMBL386112 0.83 ESR1 (0.38) ESR1ESR2KDM4ERENTLR8
SCHEMBL386297 0.83 TLR8 (0.37) ESR1ESR2KDM4ERENTLR8
SCHEMBL386324 0.79 PIM1 (0.53) PIM1ESR1ESR2CDC7CSNK2A2
SCHEMBL386549 0.78 TLR8 (0.38) ESR1ESR2TLR8FYN

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 5 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 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
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

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 429/4885ESR1 1514/4885ESR2 1089/4885

“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.