SCHEMBL2731489

SCHEMBL2731489

CC(C)(C)OC(=O)N1CCCC(c2ccn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
PRMT5 O14744 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGDS O60760 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL15248207 0.86 USP30 (0.42) USP30PRMT5GPR119CYP2C9HPGDS
SCHEMBL2733184 0.82 USP30 (0.39) USP30PRMT5GPR119HPGDS
SCHEMBL2731610 0.80 HPGDS (0.41) USP30PRMT5GPR119CYP2C9HPGDS
SCHEMBL2731608 0.80 HPGDS (0.41) USP30PRMT5GPR119CYP2C9HPGDS
SCHEMBL18883083 0.75 PRMT5 (0.44) USP30PRMT5GPR119HPGDSJAK2
SCHEMBL25304381 0.72 POLB (0.52)
SCHEMBL2732810 0.72 GRM1 (0.38) USP30PRMT5GPR119HPGDSJAK2
SCHEMBL15239585 0.72 GRM1 (0.38) USP30PRMT5GPR119HPGDSJAK2
SCHEMBL25731598 0.71 MGLL (0.53) USP30PRMT5GPR119HPGDSJAK2
SCHEMBL15248165 0.71 HPGDS (0.42) USP30PRMT5GPR119CYP2C9HPGDS

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 USP30 2632/4885PRMT5 839/4885GPR119 1125/4885

“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.