SCHEMBL4320403

SCHEMBL4320403

COc1ccc2c(c1)c(/C=C1\Oc3cc(O)cc(O)c3C1=O)cn2CCCC#N

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC2 Q92887 9/20 0.81
PIK3CA P42336 9/20 0.78
MTOR P42345 9/20 0.78
PIK3CG P48736 9/20 0.78
TUBB4A P04350 1/20 0.71
TUBB P07437 1/20 0.71
TUBA3C P0DPH7 1/20 0.71
TUBA1B P68363 1/20 0.71
TUBA4A P68366 1/20 0.71
TUBB4B P68371 1/20 0.71
TUBB3 Q13509 1/20 0.71
TUBB2A Q13885 1/20 0.71
TUBB8 Q3ZCM7 1/20 0.71
TUBA3E Q6PEY2 1/20 0.71
TUBA1A Q71U36 1/20 0.71
TUBA1C Q9BQE3 1/20 0.71
TUBB6 Q9BUF5 1/20 0.71
TUBB2B Q9BVA1 1/20 0.71
TUBB1 Q9H4B7 1/20 0.71

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
SCHEMBL1429527 1.00 ABCC2 (0.81) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL1429959 0.89 ABCC2 (0.85) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL4325709 0.89 ABCC2 (0.85) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL3215232 0.87 PIK3CA (1.00) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL1428842 0.87 PIK3CA (1.00) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL1429151 0.87 ABCC2 (0.62) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL4320004 0.87 ABCC2 (0.62) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL1429524 0.87 ABCC2 (0.64) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL4328282 0.87 ABCC2 (0.64) ABCC2PIK3CAMTORPIK3CGTUBB4A
SCHEMBL4321001 0.87 PIK3CA (0.95) ABCC2PIK3CAMTORPIK3CGTUBB4A

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 ABCC2 4452/4885PIK3CA 4/4885MTOR 1/4885

“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.