SCHEMBL4336756

SCHEMBL4336756

Cc1[nH]c2c(Br)cccc2c1/C=C1/Oc2cc(O)cc(O)c2C1=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.71
MTOR P42345 14/20 0.71
PIK3CG P48736 9/20 0.67
PNLIP P16233 1/20 0.51
ABCC2 Q92887 2/20 0.50
TYR P14679 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
CDK5 Q00535 1/20 0.47
HDAC1 Q13547 1/20 0.47
CDK5R1 Q15078 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL1428865 1.00 PIK3CA (0.71) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL1429261 0.80 PIK3CA (1.00) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL4329715 0.80 PIK3CA (1.00) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL4328535 0.79 PIK3CA (0.70) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL1429514 0.79 PIK3CA (0.70) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL1429397 0.79 PIK3CA (0.60) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL4314911 0.79 PIK3CA (0.60) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL1428740 0.77 PIK3CA (0.77) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL4330426 0.77 PIK3CA (0.77) PIK3CAMTORPIK3CGPNLIPABCC2
SCHEMBL4317466 0.76 PIK3CA (0.78) PIK3CAMTORPIK3CGPNLIPTYR

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.