SCHEMBL4054539

SCHEMBL4054539

COc1ccc2c(c1)c(/C=C1\Oc3cc(O)cc(O)c3C1=O)c1n2CCN(C)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.68
MTOR P42345 17/20 0.68
PIK3CG P48736 17/20 0.68
ABCC2 Q92887 3/20 0.56

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
SCHEMBL4054544 1.00 PIK3CA (0.68) PIK3CAMTORPIK3CGABCC2
SCHEMBL4056086 0.86 PIK3CA (0.67) PIK3CAMTORPIK3CGABCC2
SCHEMBL4056083 0.86 PIK3CA (0.67) PIK3CAMTORPIK3CGABCC2
SCHEMBL3953978 0.85 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2
SCHEMBL3953984 0.85 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2
SCHEMBL4056449 0.84 PIK3CA (0.68) PIK3CAMTORPIK3CGABCC2
SCHEMBL4056452 0.84 PIK3CA (0.68) PIK3CAMTORPIK3CGABCC2
SCHEMBL4056217 0.81 PIK3CA (0.65) PIK3CAMTORPIK3CGABCC2
SCHEMBL4056221 0.81 PIK3CA (0.65) PIK3CAMTORPIK3CGABCC2
SCHEMBL4050052 0.80 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO claimed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US claimed
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A PIK3CA 4/4885MTOR 1/4885PIK3CG 9/4885

“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.