SCHEMBL1429464

SCHEMBL1429464

COc1ccc2[nH]cc(C=C3Oc4cc(O)c(O)cc4C3=O)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.71
MTOR P42345 6/20 0.71
PIK3CG P48736 4/20 0.71
TYR P14679 1/20 0.54
PTGS2 P35354 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
STK17B O94768 1/20 0.53
GSK3B P49841 1/20 0.53
BLK P51451 1/20 0.53
CDK5 Q00535 1/20 0.53
TEK Q02763 1/20 0.53
BTK Q06187 1/20 0.53
ITK Q08881 1/20 0.53
STK17A Q9UEE5 1/20 0.53
DAPK2 Q9UIK4 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
NTRK1 P04629 3/20 0.49

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
SCHEMBL4322414 1.00 PIK3CA (0.71) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4325330 0.89 PIK3CA (0.67) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4325326 0.89 PIK3CA (0.67) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4314992 0.88 PIK3CA (0.73) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4314988 0.88 PIK3CA (0.73) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4328124 0.84 PIK3CA (0.62) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL1428916 0.84 PIK3CA (0.62) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL1429458 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CGTYRPIM1
SCHEMBL4322541 0.83 PIK3CA (0.63) PIK3CAMTORPIK3CGTYRALDH1A1
SCHEMBL1429555 0.83 PIK3CA (0.63) PIK3CAMTORPIK3CGTYRALDH1A1

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 6 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-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 (1 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

“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.