SCHEMBL2592384

SCHEMBL2592384

COC(=O)c1cc(C#N)cc2c1c(C)cn2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
EZH2 Q15910 2/20 0.33
KDM1A O60341 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NTRK1 P04629 3/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 1/20 0.33
EZH1 Q92800 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
SCHEMBL2587361 0.81 CA12 (0.35) LMNAALDH1A1KDM4EGAAEZH2
SCHEMBL2587259 0.81 CA12 (0.37) ALDH1A1KDM4EEZH2CA12CA1
SCHEMBL27979669 0.76 PDGFRB (0.33) ALDH1A1KDM4EGAAHPGDEZH2
SCHEMBL19621051 0.75 NR3C1 (0.31) KDM1ANR3C1PGRNR3C2
SCHEMBL19621034 0.75 CA12 (0.32) ALDH1A1KDM4EGAAHPGDEZH2
SCHEMBL22938776 0.73 NTRK1 (0.42) KDM1ACA12CA1CA2CA9
SCHEMBL2592706 0.73 EZH2 (0.64) EZH2EZH1
SCHEMBL14917583 0.73 EZH2 (0.42) ALDH1A1KDM4EGAAHPGDEZH2
SCHEMBL2588982 0.72 EZH2 (0.40) EZH2CA12CA1CA2CA9
SCHEMBL2592122 0.71 CA12 (0.36) EZH2CA12CA1CA2CA9

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 36 patents — showing the first 20. 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
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-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US 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-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US 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
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-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-20130345200-A1 INDOLES IDO1, IDO2, INMT LMNA 3727/4885ALDH1A1 38/4885KDM4E 1312/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT LMNA 3700/4885ALDH1A1 45/4885KDM4E 1253/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT LMNA 3727/4885ALDH1A1 38/4885KDM4E 1312/4885

“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.