SCHEMBL386030

SCHEMBL386030

COc1cccc(-c2cc(-c3ccc(OCc4ccccc4)c(C)c3)nc[n+]2[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
C5AR1 P21730 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
CYP2C19 P33261 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL386096 0.84 FFAR4 (0.40) MRGPRX4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL384971 0.74 CDC7 (0.60) MRGPRX4C5AR1HSD17B10MAPTSMN1; SMN2
SCHEMBL17005537 0.73 MAPT (0.55) C5AR1MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL385225 0.72 CHEK1 (0.40) MAPTGAATLR8
SCHEMBL18487331 0.70 C5AR1 (0.47) MRGPRX4C5AR1MAOBMAPK1MAPT
SCHEMBL2873708 0.70 MAOB (0.62) C5AR1MAOBMAPK1LMNAABCB1
Hydrochloric Acid SCHEMBL27830190 0.69 MAOB (0.57) MRGPRX4MAOBMAPK1MAPTABCB1
SCHEMBL384921 0.69 ALDH1A1 (0.46) CYP3A4TSHRMAPK1HSD17B10TP53
SCHEMBL386466 0.69 KDM4E (0.46) CLK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16384976 0.69 MRGPRX4 (0.52) MRGPRX4TSHRMAPK1HSD17B10MAPT

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 MRGPRX4 1651/4885C5AR1 3510/4885MAOB 4253/4885

“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.