SCHEMBL1429634

SCHEMBL1429634

COc1ccc2c(c1)c(C=O)c(C)n2CC(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PTGER4 P35408 1/20 0.46
PTGS2 P35354 1/20 0.46
HSD17B10 Q99714 2/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
TSPO P30536 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42

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
SCHEMBL3223536 0.86 PTGER4 (0.44) KDM4EPTGER4PTGS2HSD17B10TSPO
SCHEMBL12013670 0.86 MAPT (0.57) KDM4EPTGER4PTGS2HSD17B10MEN1
SCHEMBL30338304 0.86 MAPT (0.57) KDM4EPTGER4PTGS2HSD17B10MEN1
SCHEMBL1429491 0.83 PLA2G2A (0.46) KDM4EPTGER4PTGS2HSD17B10TSPO
SCHEMBL8081123 0.81 PTGER4 (0.64) KDM4EPTGER4HSD17B10MEN1KMT2A
SCHEMBL1429306 0.80 KDM4E (0.50) KDM4EPTGER4HSD17B10MEN1KMT2A
SCHEMBL1429572 0.79 PIK3CA (0.58) KDM4EPTGER4HSD17B10MEN1KMT2A
SCHEMBL1429486 0.78 TSPO (0.39) KDM4EPTGER4PTGS2HSD17B10TSPO
SCHEMBL1429516 0.78 PTGER4 (0.50) KDM4EPTGER4HSD17B10MEN1KMT2A
SCHEMBL22898788 0.77 MEN1 (0.50) KDM4EPTGER4HSD17B10MEN1KMT2A

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 777/4885PTGER4 3329/4885PTGS2 2286/4885
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 786/4885PTGER4 2716/4885PTGS2 1478/4885

“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.