SCHEMBL386096

SCHEMBL386096

COc1ccccc1-c1cc(-c2ccc(OCc3ccccc3)c(C)c2)nc[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.38
FFAR1 O14842 3/20 0.38

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
SCHEMBL386030 0.84 MRGPRX4 (0.43) MRGPRX4LMNATSHRMAPK1USP2
SCHEMBL383398 0.75 PIM1 (0.48) MRGPRX4ALDH1A1HSD17B10KDM4EDHODH
SCHEMBL383422 0.73 PIM1 (0.37) KDM4EKMT2ASMN1; SMN2
SCHEMBL6118917 0.71 MAPK14 (0.52) FFAR4MRGPRX4LMNATSHRMAPK1
SCHEMBL16384976 0.70 MRGPRX4 (0.52) FFAR4MRGPRX4LMNATSHRMAPK1
SCHEMBL385739 0.70 IDO1 (0.43) MAPTHTTSMN1; SMN2
SCHEMBL12797511 0.69 ALDH1A1 (0.55) TSHRMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL12111315 0.68 MRGPRX4 (0.49) FFAR4MRGPRX4LMNATSHRMAPK1
SCHEMBL12667384 0.68 MRGPRX4 (0.60) FFAR4MRGPRX4MAPK1MAPTFFAR1
SCHEMBL386389 0.68 FYN (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A

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 FFAR4 4300/4885MRGPRX4 1651/4885LMNA 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.