SCHEMBL2593658

SCHEMBL2593658

COc1nc(CO)cc(C)c1CN

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.34
DYRK1A Q13627 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
SQOR Q9Y6N5 1/20 0.32
DPP4 P27487 2/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CCR4 P51679 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5009716 0.79 OPRM1 (0.38) POLBHPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL30785586 0.77 OPRM1 (0.38) POLBHPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL5012186 0.77 OPRM1 (0.38) POLBHPGDHSD17B10GAA
SCHEMBL17221283 0.77 NOS3 (0.36) POLBDPP4
SCHEMBL9887464 0.73 KDM4A (0.39) DYRK1ALMNAHSD17B10
SCHEMBL2592972 0.72 RECQL (0.61) POLBLMNASQORHPGDGAA
SCHEMBL2595112 0.72 MAPK8 (0.40) POLBHSD17B10GAA
SCHEMBL18556092 0.72 OPRM1 (0.41) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL13756978 0.71 DYRK1A (0.32) DYRK1A
SCHEMBL8817627 0.69 CCR1 (0.43) PDE4APDE4BPDE4CPDE4DPOLB

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 78 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-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
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
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
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 PDE4A 4381/4885PDE4B 4277/4885PDE4C 4619/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 PDE4A 4381/4885PDE4B 4277/4885PDE4C 4619/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT PDE4A 3655/4885PDE4B 3371/4885PDE4C 4206/4885

“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.