SCHEMBL1429707

SCHEMBL1429707

COc1ccc2c(c1)c(C=O)c(C)n2CCOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PLA2G2A P14555 1/20 0.41
CNR2 P34972 4/20 0.40
PIK3CA P42336 5/20 0.40
MTOR P42345 5/20 0.40
PIK3CG P48736 5/20 0.40
PTGER4 P35408 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 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
SCHEMBL1428931 0.88 NPC1 (0.47) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL1428915 0.88 NPC1 (0.47) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL1428930 0.88 NPC1 (0.47) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL1431452 0.87 NPC1 (0.46) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL1429633 0.87 NPC1 (0.46) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL1429241 0.84 NPC1 (0.46) NPC1RAB9ACNR2PTGER4KDM4E
SCHEMBL1429215 0.84 NPC1 (0.47) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL1429550 0.83 NPC1 (0.47) NPC1RAB9AMEN1KMT2ACNR2
SCHEMBL22898788 0.77 MEN1 (0.50) NPC1RAB9AMEN1KMT2APLA2G2A
SCHEMBL1429017 0.76 PIK3CA (0.51) CNR2PIK3CAMTORPIK3CGPTGER4

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 NPC1 1477/4885RAB9A 891/4885MEN1 827/4885
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 NPC1 2381/4885RAB9A 697/4885MEN1 1554/4885

“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.