SCHEMBL385326

SCHEMBL385326

Cn1cccc1-c1cc(-c2ccccc2)[n+]([O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PCSK9 Q8NBP7 1/20 0.43
ALOX15 P16050 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2A13 Q16696 1/20 0.39
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30566980 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ECTDSP1KMT2AMEN1
SCHEMBL29030628 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ECTDSP1KMT2AMEN1
SCHEMBL386268 0.72 KDM4E (0.51) ALDH1A1KDM4ECTDSP1GAAL3MBTL1
SCHEMBL385322 0.71 ALDH1A1 (0.47) ALDH1A1KDM4ECTDSP1KMT2APOLB
SCHEMBL386142 0.69 ALDH1A1 (0.48) ALDH1A1KDM4ECTDSP1KMT2APOLB
SCHEMBL6444709 0.68 PCSK9 (0.73) ALDH1A1KDM4EPCSK9ALOX15CYP2A6
SCHEMBL385488 0.67 KDM4E (0.43) ALDH1A1KDM4ECTDSP1KMT2APOLB
SCHEMBL386389 0.67 FYN (0.53) ALDH1A1KDM4ECTDSP1POLBGAA
Hydrochloric Acid SCHEMBL386200 0.66 KDM4E (0.41) ALDH1A1KDM4ECTDSP1
SCHEMBL11983700 0.65 CCR1 (0.57) ALDH1A1KDM4EPCSK9ALOX15CYP2A6

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 ALDH1A1 3986/4885KDM4E 1821/4885CTDSP1 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.