SCHEMBL1429503

SCHEMBL1429503

COc1ccc2c(c1)c(C=O)c(C(=O)N(C)C)n2CCCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 4/20 0.40
PLA2G2A P14555 6/20 0.38
PLA2G1B P04054 1/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 3/20 0.37
RGS12 O14924 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 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
SCHEMBL1429311 0.94 KDM4E (0.45) PTGER4KDM4EHSD17B10KMT2APLA2G2A
SCHEMBL1429752 0.87 KMT2A (0.54) PTGER4KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL3223536 0.85 PTGER4 (0.44) PTGER4KDM4EHSD17B10KMT2AMEN1
SCHEMBL3229739 0.85 PIK3CA (0.48) PTGER4KDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL1429489 0.83 CNR2 (0.39) PTGER4KDM4EHSD17B10PIK3CAMTOR
SCHEMBL1428985 0.82 TBXAS1 (0.46) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL3223388 0.81 HRH3 (0.39) PTGER4KDM4EHSD17B10KMT2AMEN1
SCHEMBL1429712 0.80 L3MBTL1 (0.45) KDM4EHSD17B10KMT2AMEN1MAPT
SCHEMBL1429466 0.80 PTGER4 (0.50) PTGER4KDM4EHSD17B10KMT2APLA2G2A
SCHEMBL1429516 0.80 PTGER4 (0.50) PTGER4KDM4EHSD17B10KMT2APLA2G2A

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 PTGER4 3329/4885KDM4E 777/4885HSD17B10 1848/4885
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 PTGER4 2716/4885KDM4E 786/4885HSD17B10 2624/4885

“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.