SCHEMBL1429324

SCHEMBL1429324

COc1ccc2[nH]cc(C=C3Oc4cc(O)cc(OC)c4C3=O)c2c1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.85
MTOR P42345 12/20 0.85
PIK3CG P48736 10/20 0.85
PIM1 P11309 1/20 0.52
ABCC2 Q92887 3/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.48
ABCG2 Q9UNQ0 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
SCHEMBL4323481 1.00 PIK3CA (0.85) PIK3CAMTORPIK3CGPIM1ABCC2
SCHEMBL3225424 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CGPIM1ABCC2
SCHEMBL1429458 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CGPIM1ABCC2
SCHEMBL4314988 0.84 PIK3CA (0.73) PIK3CAMTORPIK3CGALDH1A1CYP1A2
SCHEMBL4314992 0.84 PIK3CA (0.73) PIK3CAMTORPIK3CGALDH1A1CYP1A2
SCHEMBL4333369 0.84 PIK3CA (0.85) PIK3CAMTORPIK3CGPIM1ABCC2
SCHEMBL1428659 0.84 PIK3CA (0.85) PIK3CAMTORPIK3CGPIM1ABCC2
SCHEMBL4322414 0.81 PIK3CA (0.71) PIK3CAMTORPIK3CGPIM1ALDH1A1
SCHEMBL1429464 0.81 PIK3CA (0.71) PIK3CAMTORPIK3CGPIM1ALDH1A1
SCHEMBL4322459 0.81 PIK3CA (0.74) PIK3CAMTORPIK3CGPIM1ABCC2

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.