SCHEMBL386389

SCHEMBL386389

COc1cc(-c2cc(-c3ccccc3)[n+]([O-])cn2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.53
IDO1 P14902 2/20 0.51
POLB P06746 1/20 0.46
NOX1 Q9Y5S8 1/20 0.44
CHEK1 O14757 1/20 0.44
FGFR1 P11362 1/20 0.44
CDK4 P11802 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
KDR P35968 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL384935 0.81 ESR2 (0.51) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL385488 0.80 KDM4E (0.43) FYNPOLBKDM4EALDH1A1MAPT
SCHEMBL385119 0.79 IDO1 (0.41) FYNIDO1POLBMAPTRAB9A
SCHEMBL29030628 0.78 ALDH1A1 (0.61) IDO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL30566980 0.78 ALDH1A1 (0.61) IDO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL385056 0.78 TLR8 (0.47) FYNIDO1GAAKDM4EALDH1A1
SCHEMBL383734 0.77 HSD17B1 (0.49) FYNPOLBKDM4EALDH1A1MAPT
SCHEMBL383387 0.76 TLR8 (0.44) FYNMAPTHPGDRAB9A
SCHEMBL384920 0.75 KDM4E (0.43) FYNIDO1KDM4EALDH1A1MAPT
SCHEMBL383765 0.74 TP53 (0.40) FYNFGFR1KDM4EALDH1A1CTDSP1

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 FYN 486/4885IDO1 2325/4885POLB 1373/4885

“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.