SCHEMBL4334538

SCHEMBL4334538

CCNC(=O)Nc1ccc2c(c1)C(=O)/C(=C/c1c[nH]c3ccc(OC)cc13)O2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.68
MTOR P42345 9/20 0.54
PIK3CG P48736 1/20 0.54
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1B P49286 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.42
AURKA O14965 2/20 0.41
DAPK3 O43293 2/20 0.41
STK17B O94768 2/20 0.41
GSK3B P49841 2/20 0.41
BLK P51451 2/20 0.41
BTK Q06187 2/20 0.41
STK17A Q9UEE5 2/20 0.41
DAPK2 Q9UIK4 2/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL1429020 1.00 PIK3CA (0.68) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL1428983 0.92 PIK3CA (0.65) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL4317384 0.92 PIK3CA (0.65) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL1428699 0.91 PIK3CA (0.77) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL4323745 0.91 PIK3CA (0.77) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL1429631 0.91 PIK3CA (0.71) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL4330300 0.91 PIK3CA (0.71) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL4289455 0.89 PIK3CA (0.69) PIK3CAMTORPIK3CGMAPTTP53
SCHEMBL4323786 0.89 PIK3CA (0.74) PIK3CAMTORPIK3CGMAPTMAPK1
SCHEMBL4316129 0.89 PIK3CA (0.69) PIK3CAMTORPIK3CGMAPTTP53

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.