SCHEMBL3223536

SCHEMBL3223536

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TSPO P30536 9/20 0.42
HSD17B10 Q99714 2/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PFKFB2 O60825 1/20 0.38
PFKFB1 P16118 1/20 0.38
PFKFB3 Q16875 1/20 0.38
AS3MT Q9HBK9 1/20 0.38
MTNR1A P48039 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
SCHEMBL1429634 0.86 KDM4E (0.47) PTGER4KDM4ETSPOHSD17B10PTGS2
SCHEMBL1429503 0.85 PTGER4 (0.44) PTGER4KDM4EHSD17B10PTGS2MAPT
SCHEMBL1429311 0.84 KDM4E (0.45) PTGER4KDM4EHSD17B10KMT2A
SCHEMBL1429752 0.84 KMT2A (0.54) PTGER4KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL1429491 0.84 PLA2G2A (0.46) PTGER4KDM4ETSPOHSD17B10PTGS2
SCHEMBL3229739 0.82 PIK3CA (0.48) PTGER4KDM4EHSD17B10ALDH1A1
SCHEMBL1428985 0.81 TBXAS1 (0.46) MAPTKMT2AMEN1ALDH1A1
SCHEMBL1429489 0.79 CNR2 (0.39) PTGER4KDM4EHSD17B10
SCHEMBL3223388 0.78 HRH3 (0.39) PTGER4KDM4EHSD17B10KMT2AMEN1
SCHEMBL1429486 0.77 TSPO (0.39) PTGER4KDM4ETSPOHSD17B10PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 777/4885TSPO 2754/4885
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 786/4885TSPO 2026/4885

“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.