SCHEMBL1428596

SCHEMBL1428596

O=C1C(=Cc2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.72
MTOR P42345 5/20 0.72
PIK3CG P48736 3/20 0.72
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
HASPIN Q8TF76 1/20 0.60
TYR P14679 3/20 0.56
MAOB P27338 5/20 0.54
MAOA P21397 3/20 0.54
CISD1 Q9NZ45 1/20 0.54
SIRT1 Q96EB6 1/20 0.49
PTGS2 P35354 1/20 0.48
RECQL P46063 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PSMD14 O00487 1/20 0.48
AURKA O14965 1/20 0.48
NPC1 O15118 1/20 0.48
DAPK3 O43293 1/20 0.48

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
SCHEMBL4324811 1.00 PIK3CA (0.72) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL14735399 0.85 PIK3CA (0.70) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL4337235 0.85 PIK3CA (0.63) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1428533 0.85 PIK3CA (0.63) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL29516892 0.85 PIK3CA (0.70) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL6964349 0.85 PIK3CA (0.70) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL29516830 0.85 PIK3CA (0.70) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL4314988 0.84 PIK3CA (0.73) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL4314992 0.84 PIK3CA (0.73) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL4315259 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CGTYRCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US claimed
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP disclosed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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 (2 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 PIK3CA 4/4885MTOR 1/4885PIK3CG 8/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 PIK3CA 942/4885MTOR 103/4885PIK3CG 1434/4885

“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.