SCHEMBL4315845

SCHEMBL4315845

COc1ccc2c(c1)c(C=C1Oc3ccc(CNC(N)=O)cc3C1=O)c(-c1nc(C(C)C)no1)n2CCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.47
MTOR P42345 16/20 0.47
PIK3CG P48736 12/20 0.47
CNR2 P34972 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL4329444 0.90 PIK3CA (0.47) PIK3CAMTORPIK3CGCNR2
SCHEMBL1432572 0.86 PIK3CA (0.48) PIK3CAMTORPIK3CG
SCHEMBL1429410 0.86 PIK3CA (0.48) PIK3CAMTORPIK3CG
SCHEMBL4318555 0.85 PIK3CA (0.54) PIK3CAMTORPIK3CGCNR2
SCHEMBL4330181 0.84 PIK3CA (0.53) PIK3CAMTORPIK3CGCNR2
SCHEMBL4316104 0.84 PIK3CA (0.49) PIK3CAMTORPIK3CGCNR2
SCHEMBL4327240 0.79 PIK3CA (0.48) PIK3CAMTORPIK3CGCNR2
SCHEMBL4315772 0.77 PIK3CA (0.58) PIK3CAMTORPIK3CGCNR2
SCHEMBL1429656 0.76 PIK3CA (0.47) PIK3CAMTORPIK3CG
SCHEMBL1429658 0.76 PIK3CA (0.47) 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 1 patent. 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 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.