SCHEMBL386466

SCHEMBL386466

Cc1cc(-c2cc(-c3ccccc3)[n+]([O-])cn2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
SRC P12931 1/20 0.38
GRM5 P41594 5/20 0.37
PTGS2 P35354 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36

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
SCHEMBL384921 0.84 ALDH1A1 (0.46) KDM4EALDH1A1CTDSP1MEN1NPC1
Hydrochloric Acid SCHEMBL386200 0.83 KDM4E (0.41) KDM4EALDH1A1CTDSP1KMOTOP1
SCHEMBL386000 0.82 ALOX5AP (0.42) PTGS2MAP4K4PTGS1
SCHEMBL386268 0.81 KDM4E (0.51) KDM4EALDH1A1CTDSP1NPC1RAB9A
SCHEMBL29030628 0.81 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1MEN1NPC1
SCHEMBL30566980 0.81 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1MEN1NPC1
SCHEMBL385296 0.79 KDM4E (0.51) KDM4EALDH1A1CTDSP1MEN1NPC1
SCHEMBL386142 0.75 ALDH1A1 (0.48) KDM4EALDH1A1CTDSP1MEN1KMT2A
SCHEMBL385779 0.75 TLR8 (0.45) MEN1KMT2APIM1FGFR1GSK3B
SCHEMBL383734 0.74 HSD17B1 (0.49) KDM4EALDH1A1CTDSP1RAB9A

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.