SCHEMBL2588935

SCHEMBL2588935

COCc1cc(C)[nH]c(=O)c1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP1A2 P05177 1/20 0.35
TYMS P04818 1/20 0.35
EZH2 Q15910 3/20 0.34
EED O75530 2/20 0.34
RBBP4 Q09028 2/20 0.34
SUZ12 Q15022 2/20 0.34
AEBP2 Q6ZN18 2/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Hydrochloric Acid SCHEMBL17874292 0.98 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2594097 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
Hydrochloric Acid SCHEMBL2591197 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL12498208 0.78 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL1694684 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL18526224 0.77 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10MAPK1
Hydrochloric Acid SCHEMBL13280706 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15648504 0.76 PDE3B (0.45) KDM4EALDH1A1HPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL18496682 0.75 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10MAPK1
Hydrochloric Acid SCHEMBL15175029 0.75 PDE3B (0.44) KDM4EALDH1A1HPGDHSD17B10GAA

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 81 patents — showing the first 20. 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-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 US disclosed
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 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-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2018-07-26 US disclosed
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2018-07-26 US disclosed
EP-3323820-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-05-23 EP disclosed
US-9956210-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US 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
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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-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 KDM4E 1279/4885ALDH1A1 470/4885HPGD 608/4885
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 KDM4E 1279/4885ALDH1A1 470/4885HPGD 608/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 KDM4E 43/4885ALDH1A1 1092/4885HPGD 2177/4885
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 KDM4E 1279/4885ALDH1A1 470/4885HPGD 608/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 KDM4E 43/4885ALDH1A1 1092/4885HPGD 2177/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885ALDH1A1 45/4885HPGD 403/4885

“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.