SCHEMBL386268

SCHEMBL386268

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TOP1 P11387 2/20 0.40
TGFBR1 P36897 1/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTK2B Q14289 1/20 0.38
ALDH1A3 P47895 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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) KDM4EALDH1A1CTDSP1TGFBR1HTT
SCHEMBL30566980 0.90 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1TGFBR1HTT
SCHEMBL385296 0.84 KDM4E (0.51) KDM4EALDH1A1CTDSP1TGFBR1HTT
SCHEMBL386142 0.84 ALDH1A1 (0.48) KDM4EALDH1A1CTDSP1TOP1TGFBR1
SCHEMBL386466 0.81 KDM4E (0.46) KDM4EALDH1A1CTDSP1TOP1TGFBR1
Hydrochloric Acid SCHEMBL386200 0.80 KDM4E (0.41) KDM4EALDH1A1CTDSP1TOP1
SCHEMBL385322 0.77 ALDH1A1 (0.47) KDM4EALDH1A1CTDSP1MAPTHPGD
SCHEMBL383734 0.77 HSD17B1 (0.49) KDM4EALDH1A1CTDSP1MAPTCYP2C9
SCHEMBL384921 0.76 ALDH1A1 (0.46) KDM4EALDH1A1CTDSP1MAPTHTT
SCHEMBL384935 0.76 ESR2 (0.51) KDM4EALDH1A1CTDSP1MAPTMAPK1

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.