SCHEMBL1428478

SCHEMBL1428478

O=C1C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)Sc2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CG P48736 2/20 0.44
PTGS2 P35354 8/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE10A Q9Y233 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4320531 1.00 PIK3CA (0.44) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL4323346 0.96 PIK3CA (0.48) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL1429061 0.96 PIK3CA (0.48) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL1429296 0.92 PIK3CA (0.46) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL4321421 0.92 PIK3CA (0.46) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL4323403 0.89 PIK3CA (0.46) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL1428766 0.89 PIK3CA (0.46) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL1428872 0.87 PIK3CA (0.46) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL4322716 0.87 PIK3CA (0.46) PIK3CAMTORPIK3CGPTGS2KMT2A
SCHEMBL1429523 0.87 PTGS2 (0.42) PIK3CAMTORPIK3CGPTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO 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 claimed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
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.