SCHEMBL386000

SCHEMBL386000

COc1ccccc1-c1cc(-c2ccc(F)c(C)c2)nc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR1 P21453 3/20 0.39
MAPK14 Q16539 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
FYN P06241 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
PDK2 Q15119 1/20 0.36
MAP4K4 O95819 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
SCHEMBL385119 0.86 IDO1 (0.41) S1PR1TNKS2PTPRCPTPN1FYN
SCHEMBL386096 0.82 FFAR4 (0.40) LMNA
SCHEMBL386466 0.82 KDM4E (0.46) PTGS2PTGS1MAP4K4
SCHEMBL383422 0.75 PIM1 (0.37) L3MBTL1FYN
SCHEMBL386149 0.73 PIM1 (0.38) MAPK14PTPRC
SCHEMBL385739 0.72 IDO1 (0.43) ALOX5APFEN1
SCHEMBL385515 0.71 ESR1 (0.38) LMNAPTPN1
SCHEMBL386080 0.70 PIM1 (0.54) LMNAL3MBTL1S1PR1TNKS2
SCHEMBL386324 0.70 PIM1 (0.53) TNKS2FYN
SCHEMBL386389 0.69 FYN (0.53) FYN

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 ALOX5AP 4779/4885FEN1 4424/4885LMNA 3037/4885

“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.