SCHEMBL4330628

SCHEMBL4330628

COc1ccc2[nH]cc(/C=C3\Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.66
MTOR P42345 17/20 0.65
PIK3CG P48736 2/20 0.51
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4330637 1.00 PIK3CA (0.66) PIK3CAMTORPIK3CGKDM4E
SCHEMBL1429003 0.90 PIK3CA (0.74) PIK3CAMTORPIK3CG
SCHEMBL4323786 0.90 PIK3CA (0.74) PIK3CAMTORPIK3CG
SCHEMBL4323745 0.89 PIK3CA (0.77) PIK3CAMTORPIK3CG
SCHEMBL1428699 0.89 PIK3CA (0.77) PIK3CAMTORPIK3CG
SCHEMBL1429631 0.87 PIK3CA (0.71) PIK3CAMTORPIK3CG
SCHEMBL4330300 0.87 PIK3CA (0.71) PIK3CAMTORPIK3CG
SCHEMBL4289455 0.85 PIK3CA (0.69) PIK3CAMTORPIK3CG
SCHEMBL4316129 0.85 PIK3CA (0.69) PIK3CAMTORPIK3CG
SCHEMBL4325091 0.85 PIK3CA (0.71) PIK3CAMTORPIK3CG

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.