SCHEMBL2594741

SCHEMBL2594741

CC(C)n1ccc2c(Br)cc(C(F)(F)F)cc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.34
KIF11 P52732 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PGR P06401 2/20 0.32
AR P10275 2/20 0.32
PDE2A O00408 1/20 0.31
CDK1 P06493 1/20 0.30
GABRB3 P28472 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL2590266 0.78 AR (0.45) PGRAR
SCHEMBL14727014 0.77 P2RX3 (0.32)
SCHEMBL2586500 0.77 RXRA (0.40) ALDH1A1
SCHEMBL17970391 0.73 MGLL (0.35)
SCHEMBL15723852 0.72 CDC7 (0.43) KIF11ALDH1A1PDE2ASLC6A2SLC6A4
SCHEMBL18585239 0.72 MEN1 (0.38) PGRAR
SCHEMBL21438892 0.72 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL21438922 0.71 HCAR3 (0.41)
SCHEMBL14909878 0.70 MAPT (0.39) DDR1KIF11GRM2ALDH1A1
SCHEMBL20655579 0.69 ALDH1A1 (0.44) KIF11ALDH1A1PDE2ASLC6A2SLC6A4

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 35 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
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
CN-102970869-A Indoles GLAXOSMITHKLINE LLC 2013-03-13 CN 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 DDR1 2938/4885KIF11 935/4885GRM2 3399/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT DDR1 3011/4885KIF11 1027/4885GRM2 3447/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT DDR1 2938/4885KIF11 935/4885GRM2 3399/4885

“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.