SCHEMBL1429311

SCHEMBL1429311

COc1ccc2c(c1)c(C=O)c(C(=O)N(C)C)n2CCCCl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.43
PTGER4 P35408 1/20 0.42
PLA2G2A P14555 5/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
DYRK1A Q13627 2/20 0.39
HASPIN Q8TF76 1/20 0.39
DYRK2 Q92630 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
BCHE P06276 3/20 0.38
ACHE P22303 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
SCHEMBL1429503 0.94 PTGER4 (0.44) KDM4EHSD17B10KMT2APTGER4PLA2G2A
SCHEMBL1429752 0.89 KMT2A (0.54) KDM4EHSD17B10KMT2APTGER4DYRK1A
SCHEMBL3223536 0.84 PTGER4 (0.44) KDM4EHSD17B10KMT2APTGER4
SCHEMBL3229739 0.83 PIK3CA (0.48) KDM4EHSD17B10PTGER4PIK3CAMTOR
SCHEMBL1429489 0.81 CNR2 (0.39) KDM4EHSD17B10PTGER4MAOBPIK3CA
SCHEMBL1429332 0.81 KDM4E (0.51) KDM4EHSD17B10KMT2APTGER4PLA2G2A
SCHEMBL1428985 0.80 TBXAS1 (0.46) KMT2A
SCHEMBL3223388 0.79 HRH3 (0.39) KDM4EHSD17B10KMT2APTGER4PIK3CA
SCHEMBL1428924 0.79 PLA2G2A (0.45) KDM4EHSD17B10KMT2APTGER4PLA2G2A
SCHEMBL1429712 0.74 L3MBTL1 (0.45) KDM4EHSD17B10KMT2APIK3CAMTOR

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 5 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-2010030727-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 LLC (US) 2010-03-18 WO 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 KDM4E 777/4885HSD17B10 1848/4885KMT2A 1721/4885
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 KDM4E 786/4885HSD17B10 2624/4885KMT2A 2409/4885

“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.