SCHEMBL1694431

SCHEMBL1694431

Cc1cc(C2CC2)c(C#N)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ HPGD P15428 5/20 0.51
▸ GLA P06280 4/20 0.51
▸ GAA P10253 4/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.49
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 2/20 0.46
▸ RAPGEF4 Q8WZA2 3/20 0.39
▸ HAVCR2 Q8TDQ0 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ CXCR2 P25025 2/20 0.37
▸ UPP1 Q16831 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
SCHEMBL2591161 0.94 KDM4E (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1694818 0.92 KDM4E (0.48) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1694465 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1694956 0.73 KDM4E (0.61) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8401180 0.73 GAA (0.56) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2593981 0.72 KDM4E (0.60) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2587156 0.72 KDM4E (0.57) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2587537 0.70 KDM4E (0.71) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14917598 0.70 JAK2 (0.39) KDM4EGAAJAK2JAK1JAK3
SCHEMBL1694829 0.70 KDM4E (0.38) KDM4EALDH1A1GAAJAK2JAK1

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 41 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-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
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-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2017-04-06 — — US disclosed
EP-2755962-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2017-03-01 — — EP disclosed
US-9562041-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2017-02-07 — — US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 — — US disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 — — EP disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 — — US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 — — US disclosed
WO-2013067302-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
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 — — WO disclosed
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 — — EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 — — 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-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 — — 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 (7 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-20130245016-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885HPGD 375/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 KDM4E 43/4885ALDH1A1 1092/4885HPGD 2177/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 KDM4E 682/4885ALDH1A1 114/4885HPGD 356/4885
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 KDM4E 43/4885ALDH1A1 1092/4885HPGD 2177/4885
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
US-20160296518-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885HPGD 375/4885

“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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