SCHEMBL14717869

SCHEMBL14717869

CC(C)n1ccc2c(C(=O)O)cc(OCCN3CCNCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.46
PRKAG1 P54619 3/20 0.46
PRKAA2 P54646 3/20 0.46
PRKAA1 Q13131 3/20 0.46
PRKAG3 Q9UGI9 3/20 0.46
PRKAG2 Q9UGJ0 3/20 0.46
PRKAB1 Q9Y478 3/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL14717102 0.90 KDM4E (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14717434 0.89 KDM4E (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17970523 0.76 EZH2 (0.43)
SCHEMBL15763878 0.69 KDM4E (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17970375 0.68 EZH2 (0.37) KDM4EALDH1A1GAAKMT2A
SCHEMBL12180506 0.67 EZH2 (0.37) KDM4EALDH1A1KMT2A
SCHEMBL2594898 0.67 NR4A1 (0.38) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL12180507 0.67 ALDH1A1 (0.39) KDM4EALDH1A1GAATP53MEN1
SCHEMBL19462908 0.65 LTA4H (0.64) KDM4EALDH1A1MAPTTDP1LTA4H
SCHEMBL16115144 0.65 PTPN1 (0.42) KDM4ESMN1; SMN2

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 21 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 claimed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP claimed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
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-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
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-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-9114141-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-08-25 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
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US 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 (6 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 PRKAB2 2193/4885PRKAG1 2452/4885PRKAA2 4206/4885
US-20150141436-A1 INDOLES IDO1, IDO2, INMT PRKAB2 4445/4885PRKAG1 4243/4885PRKAA2 3906/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 PRKAB2 2193/4885PRKAG1 2452/4885PRKAA2 4206/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT PRKAB2 4445/4885PRKAG1 4243/4885PRKAA2 3906/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT PRKAB2 4492/4885PRKAG1 4288/4885PRKAA2 4004/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT PRKAB2 4445/4885PRKAG1 4243/4885PRKAA2 3906/4885

“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.