SCHEMBL9987374

SCHEMBL9987374

CC(C)(C)OC(=O)N1CCCC(NC(=O)c2ccc3c(c2)c(Br)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.60
HDAC4 P56524 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
DGAT2 Q96PD7 2/20 0.47
GABRA5 P31644 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
ADA P00813 2/20 0.44
PARP1 P09874 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SCN9A Q15858 1/20 0.42
PBK Q96KB5 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
SCHEMBL12073270 1.00 USP30 (0.60) USP30HDAC4HDAC6DGAT2GABRA5
SCHEMBL14860166 0.89 USP30 (0.44) USP30
SCHEMBL14859367 0.89 USP30 (0.44) USP30
SCHEMBL12073236 0.88 PPARG (0.48) USP30
SCHEMBL9987451 0.88 PPARG (0.48) USP30
SCHEMBL9988250 0.82 USP30 (0.52) USP30HDAC4HDAC6DGAT2GABRA5
SCHEMBL9988247 0.82 USP30 (0.52) USP30HDAC4HDAC6DGAT2GABRA5
SCHEMBL9987349 0.81 DGAT2 (0.42) USP30DGAT2
SCHEMBL16620008 0.80 USP30 (0.44) USP30GABRA5ANO1ADAPARP1
SCHEMBL16620012 0.80 USP30 (0.44) USP30GABRA5ANO1ADAPARP1

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-2584903-B1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
EP-2584903-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
WO-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 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-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MAPK1, MAPK6, MAPK3 USP30 3854/4885HDAC4 219/4885HDAC6 172/4885

“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.