SCHEMBL1429533

SCHEMBL1429533

COc1ccc2c(c1)c(C=C1Oc3cc(O)ccc3C1=O)c(C)n2CCN1CCN(C)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.78
MTOR P42345 10/20 0.78
PIK3CG P48736 10/20 0.78
KIT P10721 1/20 0.50
PTGS2 P35354 2/20 0.48
TYR P14679 1/20 0.48
MAOB P27338 2/20 0.46

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
SCHEMBL3214858 1.00 PIK3CA (0.78) PIK3CAMTORPIK3CGKITPTGS2
SCHEMBL4317556 0.94 PIK3CA (0.69) PIK3CAMTORPIK3CGKITMAOB
SCHEMBL1429123 0.94 PIK3CA (0.69) PIK3CAMTORPIK3CGKITMAOB
SCHEMBL3217757 0.94 PIK3CA (0.77) PIK3CAMTORPIK3CGKITTYR
SCHEMBL3217744 0.94 PIK3CA (0.77) PIK3CAMTORPIK3CGKITTYR
SCHEMBL4325439 0.93 PIK3CA (0.69) PIK3CAMTORPIK3CGMAOB
SCHEMBL4329992 0.93 PIK3CA (0.69) PIK3CAMTORPIK3CGMAOB
SCHEMBL1429135 0.93 PIK3CA (0.69) PIK3CAMTORPIK3CGMAOB
SCHEMBL1428341 0.93 PIK3CA (0.69) PIK3CAMTORPIK3CGMAOB
SCHEMBL1429112 0.91 PIK3CA (0.66) PIK3CAMTORPIK3CGKITPTGS2

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 8 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-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US 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-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR PIK3CA 5/4885MTOR 1/4885PIK3CG 10/4885

“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.