SCHEMBL2591174

SCHEMBL2591174

Cc1cc(C2CCC2)[nH]c(=O)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 3/20 0.55
GLA P06280 2/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAPGEF4 Q8WZA2 7/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
PDE9A O76083 5/20 0.42
UPP1 Q16831 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 1/20 0.41
TP53 P04637 1/20 0.39

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
SCHEMBL1694956 0.94 KDM4E (0.61) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL2201597 0.76 RAPGEF4 (0.48) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL2591161 0.75 KDM4E (0.49) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL28600246 0.75 ALDH1A1 (0.89) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL14727105 0.73 DAO (0.39) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL23683888 0.73 KDM4E (0.64) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL1694465 0.72 KDM4E (0.62) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL17970537 0.72 DAO (0.38) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL2587816 0.72 DAO (0.38) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL795977 0.71 DAO (0.46) KDM4EALDH1A1HSD17B10RAPGEF4JAK2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-9956210-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9956210-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO 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-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 (3 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-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 KDM4E 43/4885GAA 1965/4885ALDH1A1 1092/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 KDM4E 43/4885GAA 1965/4885ALDH1A1 1092/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885GAA 3907/4885ALDH1A1 45/4885

“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.