SCHEMBL12499323

SCHEMBL12499323

CC(C)n1nc(Br)c2c(C(=O)O)cc(-c3ccc(CN4CCOCC4)cc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 1/20 0.48
▸ PARP1 P09874 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MOK Q9UQ07 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PPARA Q07869 1/20 0.40

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
SCHEMBL12498832 0.89 EZH2 (0.47) EZH2PARP1SYKHRH3JAK2
SCHEMBL30386468 0.81 EZH2 (0.76) EZH2KCNH2
SCHEMBL12499612 0.81 EZH2 (0.76) EZH2KCNH2
SCHEMBL1694729 0.80 PPARA (0.54) DHODHKDM4EALDH1A1MEN1KMT2A
SCHEMBL20170343 0.75 EZH2 (0.63) EZH2KCNH2
SCHEMBL15322940 0.70 KCNH2 (0.73) JAK2DHODHKCNH2ALDH1A1MOK
SCHEMBL1419912 0.70 DHODH (0.61) PARP1HRH3JAK2DHODHKDM4E
SCHEMBL3785950 0.66 KCNH2 (0.46) EZH2JAK2DHODHKCNH2MOK
SCHEMBL23644503 0.65 HRH3 (0.56) EZH2HRH3DHODH
SCHEMBL11907261 0.65 PARP1 (0.59) PARP1HRH3JAK2ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 — — EP disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 — — US disclosed
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-10-08 — — US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 — — US disclosed
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2019-10-03 — — US disclosed
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-04-30 — — US disclosed
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-03-15 — — US disclosed
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-03-15 — — US disclosed
EP-2681216-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
US-9637472-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-05-02 — — US disclosed
US-9637472-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-05-02 — — US disclosed
US-20150065483-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-03-05 — — US disclosed
US-20150065483-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-03-05 — — US disclosed
US-8962620-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-02-24 — — US disclosed
US-8962620-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-02-24 — — US disclosed
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-02-27 — — US disclosed
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-02-27 — — US disclosed
EP-2681216-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-01-08 — — EP disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 — — WO disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 — — 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 (6 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-20150065483-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 EZH2 1355/4885PARP1 397/4885SYK 2745/4885
US-10273223-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 EZH2 1355/4885PARP1 397/4885SYK 2745/4885
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 EZH2 1355/4885PARP1 397/4885SYK 2745/4885
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 EZH2 1355/4885PARP1 397/4885SYK 2745/4885
US-20200317643-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 EZH2 1355/4885PARP1 397/4885SYK 2745/4885
US-20190300502-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 EZH2 1355/4885PARP1 397/4885SYK 2745/4885

“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.

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