SCHEMBL2594909

SCHEMBL2594909

COC(=O)c1ccc(C)c2c1ccn2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.43
BRD4 O60885 1/20 0.42
MYC P01106 2/20 0.41
KDM4E B2RXH2 5/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 4/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19048549 0.84 KDM4E (0.50) NR4A2BRD4MYCKDM4ECA12
SCHEMBL23800439 0.83 NR4A2 (0.42) NR4A2BRD4MYCKDM4ECA12
SCHEMBL15987332 0.83 NR4A2 (0.42) NR4A2BRD4MYCKDM4ECA12
SCHEMBL2594576 0.80 MYC (0.38) NR4A2BRD4MYCKDM4ECA12
SCHEMBL28564953 0.78 KMT2A (0.40) NR4A2MYCKDM4ECA12CA1
SCHEMBL28564955 0.77 MYC (0.48) NR4A2MYCKDM4EALDH1A1LMNA
SCHEMBL2381706 0.76 NR4A2 (0.42) NR4A2BRD4MYCKDM4ECA12
SCHEMBL26581229 0.76 NR4A2 (0.60) NR4A2BRD4KDM4EALDH1A1LMNA
SCHEMBL16382719 0.72 KDM4E (0.38) KDM4EALDH1A1MAPT
SCHEMBL31607540 0.72 NR4A2 (0.64) NR4A2BRD4MYCKDM4EALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 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-20160074394-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2016-03-17 US disclosed
US-9242962-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-01-26 US disclosed
US-20150141436-A1 INDOLES KIDS2, INC. 2015-05-21 US disclosed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US disclosed
US-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 US disclosed
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 EP disclosed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 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-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 (5 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-20160074394-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 NR4A2 991/4885BRD4 107/4885MYC 1624/4885
US-20150141436-A1 INDOLES IDO1, IDO2, INMT NR4A2 2018/4885BRD4 190/4885MYC 19/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 NR4A2 991/4885BRD4 107/4885MYC 1624/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT NR4A2 2018/4885BRD4 190/4885MYC 19/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT NR4A2 1964/4885BRD4 177/4885MYC 18/4885

“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.