SCHEMBL383734

SCHEMBL383734

[O-][n+]1cnc(-c2cccc(O)c2)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.49
HSD17B2 P37059 7/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
ADORA1 P30542 1/20 0.40
TP53 P04637 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPT P10636 1/20 0.40
METAP2 P50579 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
FYN P06241 3/20 0.39
CYP19A1 P11511 1/20 0.38
CDC7 O00311 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL29030628 0.85 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1ADORA1CYP2C9
SCHEMBL30566980 0.85 ALDH1A1 (0.61) KDM4EALDH1A1CTDSP1ADORA1CYP2C9
SCHEMBL385322 0.82 ALDH1A1 (0.47) KDM4EALDH1A1CTDSP1MAPTMETAP2
SCHEMBL384935 0.80 ESR2 (0.51) HSD17B1HSD17B2KDM4EALDH1A1CTDSP1
SCHEMBL385488 0.77 KDM4E (0.43) HSD17B1HSD17B2KDM4EALDH1A1CTDSP1
SCHEMBL385296 0.77 KDM4E (0.51) KDM4EALDH1A1CTDSP1ADORA1CYP2C9
SCHEMBL386268 0.77 KDM4E (0.51) KDM4EALDH1A1CTDSP1ADORA1MAPT
SCHEMBL384921 0.74 ALDH1A1 (0.46) KDM4EALDH1A1CTDSP1TP53MAPT
SCHEMBL386466 0.74 KDM4E (0.46) KDM4EALDH1A1CTDSP1RAB9A
Hydrochloric Acid SCHEMBL386200 0.73 KDM4E (0.41) KDM4EALDH1A1CTDSP1

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 HSD17B1 3103/4885HSD17B2 2802/4885KDM4E 1821/4885

“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.