SCHEMBL2734477

SCHEMBL2734477

CC1(C)OB(c2ccc3c(c2)c(-c2ccncc2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.39
LIPG Q9Y5X9 6/20 0.39
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ROCK1 Q13464 1/20 0.31
EGFR P00533 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL30084145 1.00 LPL (0.39) LPLLIPGPRMT5WDR77IRAK4
SCHEMBL31636018 0.81 LPL (0.40) LPLLIPGPRMT5WDR77IRAK4
SCHEMBL16025775 0.81 LRRK2 (0.33) LPLLIPGROCK1
SCHEMBL15248209 0.80 L3MBTL1 (0.41) LPLLIPGIRAK4L3MBTL1
SCHEMBL26390707 0.80 LPL (0.38) LPLLIPGPRMT5WDR77IRAK4
SCHEMBL19665906 0.79 LIPG (0.37) LPLLIPGPRMT5WDR77IRAK4
SCHEMBL30084130 0.76 PTGER1 (0.38) L3MBTL1
SCHEMBL30084116 0.76 PTGER1 (0.38) L3MBTL1
SCHEMBL15332952 0.76 L3MBTL1 (0.53) LPLLIPGPRMT5WDR77IRAK4
SCHEMBL2732363 0.76 DCLK1 (0.40) IRAK4L3MBTL1

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-3536319-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-11 EP disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
EP-2632268-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 WO 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 (1 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-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 LPL 4709/4885LIPG 3875/4885PRMT5 839/4885

“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.