SCHEMBL4320944

SCHEMBL4320944

CNC(=O)Nc1ccc2c(c1)C(=O)/C(=C/c1cn(CCCN3CCOCC3)c3ccc(OC)cc13)O2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.64
MTOR P42345 13/20 0.64
PIK3CG P48736 6/20 0.64
ABCC2 Q92887 2/20 0.48
INPPL1 O15357 2/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL1429333 1.00 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4317983 0.94 PIK3CA (0.55) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL1429091 0.94 PIK3CA (0.55) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4320279 0.91 PIK3CA (0.56) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL1428791 0.91 PIK3CA (0.56) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4316045 0.87 PIK3CA (0.62) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL1428771 0.87 PIK3CA (0.62) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4318834 0.86 PIK3CA (0.66) PIK3CAMTORPIK3CG
SCHEMBL1428885 0.86 PIK3CA (0.66) PIK3CAMTORPIK3CG
SCHEMBL1433239 0.86 PIK3CA (0.51) 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 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.