SCHEMBL1429752

SCHEMBL1429752

COc1ccc2c(c1)c(C=O)c(C(=O)N(C)C)n2CCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
PIK3CG P48736 3/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MYLK Q15746 1/20 0.43
PTGER4 P35408 1/20 0.42
HASPIN Q8TF76 1/20 0.41
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
DYRK1A Q13627 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL1429311 0.89 KDM4E (0.45) KMT2APIK3CAMTORPIK3CGKDM4E
SCHEMBL1429503 0.87 PTGER4 (0.44) KMT2APIK3CAMTORPIK3CGKDM4E
SCHEMBL3223536 0.84 PTGER4 (0.44) KMT2AKDM4EHSD17B10PTGER4ALDH1A1
SCHEMBL3229739 0.83 PIK3CA (0.48) PIK3CAMTORPIK3CGKDM4EHSD17B10
SCHEMBL1429572 0.83 PIK3CA (0.58) KMT2APIK3CAMTORPIK3CGKDM4E
SCHEMBL1429489 0.81 CNR2 (0.39) PIK3CAMTORPIK3CGKDM4EHSD17B10
SCHEMBL1429011 0.81 PIK3CA (0.46) KMT2APIK3CAMTORPIK3CGKDM4E
SCHEMBL1428985 0.80 TBXAS1 (0.46) KMT2AALDH1A1
SCHEMBL3223388 0.79 HRH3 (0.39) KMT2APIK3CAMTORPIK3CGKDM4E
SCHEMBL4327855 0.78 PIK3CA (0.62) PIK3CAMTORPIK3CG

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 4 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
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US 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 (2 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 KMT2A 1721/4885PIK3CA 4/4885MTOR 1/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR KMT2A 2409/4885PIK3CA 5/4885MTOR 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.