SCHEMBL383767

SCHEMBL383767

O=C(CC(=O)c1ccc(F)c(Br)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HPGD P15428 5/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CES1 P23141 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 5/20 0.51
RAB9A P51151 3/20 0.51
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
PLOD2 O00469 2/20 0.47
PLOD3 O60568 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL27955217 0.82 MAPT (0.56) HPGDMAPTSMN1; SMN2KDM4ECES1
SCHEMBL7752908 0.81 HPGD (0.58) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL4784600 0.81 IDO1 (0.57) HPGDCES1RAB9AIDO1TDO2
SCHEMBL14972980 0.80 MEN1 (0.61) MEN1KMT2AHPGDMAPTSMN1; SMN2
Dibenzoylmethane SCHEMBL7100268 0.79 IDO1 (0.47) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL246840 0.79 ACHE (0.42) CES1NPC1RAB9AIDO1TDO2
SCHEMBL3162903 0.79 PTPN1 (0.57) CES1NPC1RAB9APTPN1GSK3B
SCHEMBL28037289 0.79 CES2 (0.41) HPGDCES1NPC1RAB9AIDO1
SCHEMBL31149832 0.79 PTPN1 (0.57) CES1NPC1RAB9APTPN1GSK3B
SCHEMBL30219677 0.79 IDO1 (0.40) MEN1KMT2AHPGDMAPTSMN1; SMN2

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 MEN1 4294/4885KMT2A 686/4885HPGD 3568/4885

“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.