SCHEMBL2595112

SCHEMBL2595112

COc1nc(NC(=O)O)cc(C)c1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
POLB P06746 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 4/20 0.33
MAPT P10636 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAPK10 P53779 1/20 0.33
MAP4K2 Q12851 1/20 0.33
PKN2 Q16513 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
STK17A Q9UEE5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14730133 0.84 SCN9A (0.38) MAPK8MAPK9
SCHEMBL553157 0.81 DPP4 (0.36) MAPK1ALDH1A1
SCHEMBL4619802 0.81 MAPK1 (0.35) MAPK1
SCHEMBL2592627 0.77 OPRM1 (0.39) POLBKCNQ3KCNQ2OPRM1OPRK1
SCHEMBL5009716 0.74 OPRM1 (0.38) POLBOPRM1OPRK1GAAMAPK1
SCHEMBL18185765 0.73 PDCD1 (0.43)
SCHEMBL2592865 0.73 MAPK8 (0.59) MAPK8MAPK9POLBGAAMAPK1
SCHEMBL17221283 0.73 NOS3 (0.36) POLB
Hydrochloric Acid SCHEMBL30785586 0.73 OPRM1 (0.38) POLBOPRM1OPRK1GAAMAPK1
Hydrochloric Acid SCHEMBL5012186 0.73 OPRM1 (0.38) POLBOPRM1OPRK1GAAMAPK1

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 28 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
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP disclosed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
WO-2013173441-A2 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-21 WO disclosed
EP-2646020-A1 INDOLES GlaxoSmithKline LLC (US) 2013-10-09 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-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
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 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 (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 MAPK8 3764/4885MAPK9 3122/4885POLB 2211/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 MAPK8 1808/4885MAPK9 1370/4885POLB 1932/4885
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 MAPK8 1808/4885MAPK9 1370/4885POLB 1932/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 MAPK8 1808/4885MAPK9 1370/4885POLB 1932/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT MAPK8 3764/4885MAPK9 3122/4885POLB 2211/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT MAPK8 3796/4885MAPK9 3162/4885POLB 2222/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT MAPK8 3764/4885MAPK9 3122/4885POLB 2211/4885

“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.