SCHEMBL4329070

SCHEMBL4329070

COc1cccc2c1c(/C=C1/Oc3cc(O)cc(O)c3C1=O)cn2C

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.72
MTOR P42345 8/20 0.72
PIK3CG P48736 4/20 0.68
ABCC2 Q92887 9/20 0.61
TYR P14679 1/20 0.52

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
SCHEMBL1429505 1.00 PIK3CA (0.72) PIK3CAMTORPIK3CGABCC2TYR
SCHEMBL1428643 0.89 PIK3CA (0.78) PIK3CAMTORPIK3CGABCC2TYR
SCHEMBL4327506 0.89 PIK3CA (0.78) PIK3CAMTORPIK3CGABCC2TYR
SCHEMBL1428806 0.87 PIK3CA (0.67) PIK3CAMTORPIK3CGABCC2TYR
SCHEMBL4332378 0.87 PIK3CA (0.67) PIK3CAMTORPIK3CGABCC2TYR
SCHEMBL1429468 0.87 PIK3CA (0.70) PIK3CAMTORPIK3CGABCC2
SCHEMBL4324737 0.87 PIK3CA (0.70) PIK3CAMTORPIK3CGABCC2
SCHEMBL8084406 0.87 PIK3CA (0.75) PIK3CAMTORPIK3CGABCC2TYR
SCHEMBL4318624 0.86 PIK3CA (0.74) PIK3CAMTORPIK3CGABCC2TYR
SCHEMBL1428922 0.86 PIK3CA (0.74) PIK3CAMTORPIK3CGABCC2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.