SCHEMBL385488

SCHEMBL385488

CCc1cc(-c2cc(-c3ccccc3)[n+]([O-])cn2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CYP1A2 P05177 1/20 0.40
HSD17B1 P14061 3/20 0.39
AR P10275 1/20 0.36
BACE1 P56817 2/20 0.35
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
HSD17B2 P37059 1/20 0.33
CDC7 O00311 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CLK1 P49759 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 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
SCHEMBL384935 0.81 ESR2 (0.51) KDM4EALDH1A1CTDSP1HSD17B1ESR1
SCHEMBL386389 0.80 FYN (0.53) KDM4EALDH1A1CTDSP1SMN1; SMN2POLB
SCHEMBL29030628 0.78 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1CYP1A2SMN1; SMN2
SCHEMBL30566980 0.78 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1CYP1A2SMN1; SMN2
SCHEMBL383734 0.77 HSD17B1 (0.49) KDM4EALDH1A1CTDSP1HSD17B1HSD17B2
SCHEMBL384920 0.75 KDM4E (0.43) KDM4EALDH1A1CTDSP1CAMKK2SMN1; SMN2
SCHEMBL385493 0.74 TLR8 (0.43) KDM4EALDH1A1CTDSP1HSD17B1ESR1
SCHEMBL384921 0.73 ALDH1A1 (0.46) KDM4EALDH1A1CTDSP1SMN1; SMN2LMNA
SCHEMBL386466 0.73 KDM4E (0.46) KDM4EALDH1A1CTDSP1PIM1GSK3B
SCHEMBL1023129 0.73 HSD17B1 (0.66) KDM4EALDH1A1CYP1A2HSD17B1AR

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 KDM4E 1821/4885ALDH1A1 3986/4885CTDSP1 376/4885

“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.