SCHEMBL386262

SCHEMBL386262

Cc1cc(-c2cc(-c3ccc(C(F)(F)F)cc3)[n+]([O-])cn2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
AR P10275 3/20 0.35
ESR2 Q92731 3/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KIF11 P52732 2/20 0.34
TLR8 Q9NR97 2/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
PIK3CA P42336 1/20 0.33
COMT P21964 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SNCA P37840 1/20 0.32
CDC7 O00311 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CLK1 P49759 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
SCHEMBL385493 0.86 TLR8 (0.43) ESR1ESR2TLR8HSD17B1HSD17B2
SCHEMBL383765 0.86 TP53 (0.40) ESR1ARESR2TLR8HSD17B1
SCHEMBL386252 0.84 TLR8 (0.36) ESR1ARESR2TLR8HSD17B1
SCHEMBL385779 0.84 TLR8 (0.45) ESR1ESR2TLR8HSD17B1HSD17B2
SCHEMBL385056 0.81 TLR8 (0.47) ESR1IDO1TDO2TLR8
SCHEMBL386142 0.79 ALDH1A1 (0.48) KIF11
SCHEMBL386323 0.77 NPC1 (0.42) ESR1ESR2TLR8HSD17B1HSD17B2
SCHEMBL386549 0.77 TLR8 (0.38) ESR1ESR2TLR8
SCHEMBL383387 0.75 TLR8 (0.44) ESR2TLR8HSD17B1HSD17B2COMT
SCHEMBL386324 0.75 PIM1 (0.53) ESR1ESR2TLR8HSD17B1HSD17B2

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 ESR1 1514/4885AR 864/4885ESR2 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.