SCHEMBL385225

SCHEMBL385225

COCCOc1cccc(-c2cc(-c3ccc(O)c(C)c3)nc[n+]2[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
FYN P06241 2/20 0.36
POLQ O75417 1/20 0.35
HSD17B1 P14061 4/20 0.34
HSD17B2 P37059 4/20 0.34
ESR2 Q92731 4/20 0.34
ESR1 P03372 3/20 0.34
TLR8 Q9NR97 1/20 0.34
NR4A2 P43354 1/20 0.33
DHODH Q02127 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CDC7 O00311 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CLK1 P49759 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL386549 0.89 TLR8 (0.38) CHEK1CHEK2FYNESR2ESR1
SCHEMBL383387 0.88 TLR8 (0.44) FYNHSD17B1HSD17B2ESR2TLR8
SCHEMBL385139 0.87 KDM4E (0.40) ESR2ESR1
SCHEMBL386112 0.84 ESR1 (0.38) CHEK2FYNESR2ESR1TLR8
SCHEMBL386297 0.84 TLR8 (0.37) CHEK1CHEK2FYNESR2ESR1
SCHEMBL384932 0.83 ACHE (0.50)
SCHEMBL386323 0.79 NPC1 (0.42) HSD17B1HSD17B2ESR2ESR1TLR8
SCHEMBL385056 0.79 TLR8 (0.47) FYNESR1TLR8GAAMAPT
SCHEMBL383422 0.77 PIM1 (0.37) FYNESR2ESR1TLR8GAA
SCHEMBL383765 0.76 TP53 (0.40) FYNHSD17B1HSD17B2ESR2ESR1

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 CHEK1 80/4885CHEK2 25/4885FYN 486/4885

“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.