SCHEMBL3217757

SCHEMBL3217757

COc1ccc2c(c1)c(C=C1Oc3ccc(O)cc3C1=O)c(C)n2CCN1CCN(C)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.77
MTOR P42345 12/20 0.77
PIK3CG P48736 12/20 0.77
ACHE P22303 1/20 0.44
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
STK17B O94768 1/20 0.43
GSK3B P49841 1/20 0.43
BLK P51451 1/20 0.43
CDK5 Q00535 1/20 0.43
TEK Q02763 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
STK17A Q9UEE5 1/20 0.43
DAPK2 Q9UIK4 1/20 0.43
TYR P14679 1/20 0.42
KIT P10721 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3217744 1.00 PIK3CA (0.77) PIK3CAMTORPIK3CGACHEAURKA
SCHEMBL3214858 0.94 PIK3CA (0.78) PIK3CAMTORPIK3CGTYRKIT
SCHEMBL1429533 0.94 PIK3CA (0.78) PIK3CAMTORPIK3CGTYRKIT
SCHEMBL8402904 0.91 PIK3CA (0.70) PIK3CAMTORPIK3CGACHE
SCHEMBL1428721 0.90 PIK3CA (0.75) PIK3CAMTORPIK3CGACHEAURKA
SCHEMBL4322507 0.90 PIK3CA (0.75) PIK3CAMTORPIK3CGACHEAURKA
SCHEMBL4323825 0.89 PIK3CA (0.73) PIK3CAMTORPIK3CGACHEAURKA
SCHEMBL1428873 0.89 PIK3CA (0.73) PIK3CAMTORPIK3CGACHEAURKA
SCHEMBL4327532 0.89 PIK3CA (0.73) PIK3CAMTORPIK3CGACHEAURKA
SCHEMBL4332076 0.89 PIK3CA (0.73) PIK3CAMTORPIK3CGACHEAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 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-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR PIK3CA 5/4885MTOR 1/4885PIK3CG 10/4885

“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.