Sugi Predict

Sugi Predict / Compounds / SCHEMBL1429475

SCHEMBL1429475

SCHEMBL1429475

COc1ccc2c(c1)c(C=O)c(-c1c(C)nn(C)c1C)n2CCN(C)CCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.44
▸ MTOR P42345 3/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ POLB P06746 1/20 0.39
▸ HTR7 P34969 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KAT2B Q92831 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ BCHE P06276 2/20 0.35
▸ SMPD1 P17405 1/20 0.35

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
SCHEMBL4327058 0.95 PIK3CA (0.47) PIK3CAMTORPIK3CGHTR2AHTR2C
SCHEMBL1429426 0.88 PIK3CA (0.42) PIK3CAMTORPIK3CGHTR2AHTR2C
SCHEMBL8400957 0.86 PTGER4 (0.44) PIK3CAMTORPIK3CGDYRK1APOLB
SCHEMBL1429335 0.85 POLB (0.43) PIK3CAMTORPIK3CGPOLBHASPIN
SCHEMBL1430174 0.83 POLB (0.41) PIK3CAMTORPIK3CGHTR2AHTR2C
SCHEMBL1428608 0.83 PIK3CA (0.49) PIK3CAMTORPIK3CGPOLBPTGER4
SCHEMBL8083407 0.81 POLB (0.39) PIK3CAMTORPIK3CGDYRK1APOLB
SCHEMBL1429618 0.81 POLB (0.41) PIK3CAMTORPIK3CGPOLBHASPIN
SCHEMBL1429094 0.81 MYLK (0.45) PIK3CAMTORPIK3CGDYRK1APOLB
SCHEMBL1429818 0.79 KDM4E (0.43) PIK3CAMTORPIK3CGPOLBPTGER4

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.