SCHEMBL1429129

SCHEMBL1429129

COc1ccc2c(c1)c(C=O)c(-c1nc(C3CC3)no1)n2CCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.42
MTOR P42345 4/20 0.42
PIK3CG P48736 4/20 0.42
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
USP7 Q93009 1/20 0.38
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR4 Q13639 1/20 0.37
HTR6 P50406 6/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL1429612 0.81 PIK3CA (0.48) PIK3CAMTORPIK3CGHTR6ALDH1A1
SCHEMBL1428646 0.80 PIK3CA (0.47) PIK3CAMTORPIK3CGCYP2D6HTR6
SCHEMBL1429656 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CG
SCHEMBL1429658 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CG
SCHEMBL4329444 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CGMTNR1AMTNR1B
SCHEMBL1429402 0.77 PIK3CA (0.45) PIK3CAMTORPIK3CGCYP2D6HTR6
SCHEMBL1429307 0.76 PIK3CA (0.44) PIK3CAMTORPIK3CGCYP2D6HTR6
SCHEMBL1428430 0.75 PIK3CA (0.59) PIK3CAMTORPIK3CGCYP2D6HTR6
SCHEMBL4322759 0.75 PIK3CA (0.49) PIK3CAMTORPIK3CGCYP2D6HTR6
SCHEMBL1428608 0.74 PIK3CA (0.49) PIK3CAMTORPIK3CGCYP2D6HTR6

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 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
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
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
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.