SCHEMBL385296

SCHEMBL385296

[O-][n+]1cnc(-c2ccc(Cl)cc2)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
CYP1A2 P05177 2/20 0.42
CTRC Q99895 1/20 0.41
MAP4K4 O95819 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TGFBR1 P36897 1/20 0.39
CNR1 P21554 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL29030628 0.90 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1SMN1; SMN2HTT
SCHEMBL30566980 0.90 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1SMN1; SMN2HTT
SCHEMBL386268 0.84 KDM4E (0.51) KDM4EALDH1A1CTDSP1SMN1; SMN2HTT
SCHEMBL386466 0.79 KDM4E (0.46) KDM4EALDH1A1CTDSP1NPC1RAB9A
Hydrochloric Acid SCHEMBL386200 0.77 KDM4E (0.41) KDM4EALDH1A1CTDSP1KMO
SCHEMBL383734 0.77 HSD17B1 (0.49) KDM4EALDH1A1CTDSP1SMN1; SMN2POLB
SCHEMBL385322 0.77 ALDH1A1 (0.47) KDM4EALDH1A1CTDSP1POLBNPC1
SCHEMBL384921 0.76 ALDH1A1 (0.46) KDM4EALDH1A1CTDSP1SMN1; SMN2HTT
SCHEMBL385762 0.73 MKNK1 (0.45) KDM4EALDH1A1CTDSP1ADORA2A
SCHEMBL385488 0.73 KDM4E (0.43) KDM4EALDH1A1CTDSP1SMN1; SMN2POLB

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.