SCHEMBL4324366

SCHEMBL4324366

COc1ccc2c(c1)c(/C=C1\Oc3ccc(NC(C)=O)cc3C1=O)cn2CCCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.64
MTOR P42345 9/20 0.64
PIK3CG P48736 7/20 0.64
ABCC2 Q92887 3/20 0.52
INPPL1 O15357 1/20 0.48
HTR6 P50406 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44

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
SCHEMBL1428824 1.00 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL1429445 0.94 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4286886 0.94 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4328513 0.94 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4327620 0.94 PIK3CA (0.64) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4327604 0.93 PIK3CA (0.63) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL4323061 0.93 PIK3CA (0.63) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL1429271 0.93 PIK3CA (0.63) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL1428762 0.93 PIK3CA (0.63) PIK3CAMTORPIK3CGABCC2INPPL1
SCHEMBL1428771 0.92 PIK3CA (0.62) PIK3CAMTORPIK3CGABCC2INPPL1

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.