SCHEMBL1429491

SCHEMBL1429491

COc1ccc2c(c1)c(C=O)c(C1CC1)n2CC(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.46
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TSPO P30536 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 1/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL3223536 0.84 PTGER4 (0.44) PTGER4KDM4ETSPOMEN1KMT2A
SCHEMBL1429634 0.83 KDM4E (0.47) PLA2G2APTGER4KDM4ETSPOMEN1
SCHEMBL1429817 0.82 PLA2G2A (0.46) PLA2G2APTGER4KDM4EHSD17B10MTNR1A
SCHEMBL1429889 0.81 PLA2G2A (0.47) PLA2G2APTGER4KDM4EMEN1KMT2A
SCHEMBL1429011 0.81 PIK3CA (0.46) PLA2G2APTGER4KDM4EKMT2AHSD17B10
SCHEMBL1428924 0.79 PLA2G2A (0.45) PLA2G2APTGER4KDM4EMEN1KMT2A
SCHEMBL1429158 0.79 PTGER4 (0.44) PLA2G2APTGER4KDM4EHSD17B10MTNR1A
SCHEMBL1429118 0.78 PTGER4 (0.44) PLA2G2APTGER4KDM4EHSD17B10MTNR1A
SCHEMBL4334813 0.78 PTGER4 (0.54) PLA2G2APTGER4KDM4EMEN1KMT2A
SCHEMBL1429456 0.78 PIK3CA (0.63)

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 PLA2G2A 3780/4885PTGER4 3329/4885KDM4E 777/4885
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 PLA2G2A 3227/4885PTGER4 2716/4885KDM4E 786/4885

“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.