SCHEMBL2732810

SCHEMBL2732810

CC(C)(C)OC(=O)N1CCC[C@@H](c2cn(-c3ccc4c(c3)c(-c3ccncc3)nn4C(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.38
GPR119 Q8TDV5 6/20 0.38
BTK Q06187 1/20 0.38
HPGDS O60760 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GRM5 P41594 3/20 0.37
PRMT5 O14744 2/20 0.37
USP30 Q70CQ3 3/20 0.36
SCN9A Q15858 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL15239585 1.00 GRM1 (0.38) GRM1GPR119BTKHPGDSJAK2
SCHEMBL2733184 0.90 USP30 (0.39) GPR119BTKHPGDSPRMT5USP30
SCHEMBL15250050 0.86 NR1H2 (0.33) GRM1GPR119BTKGRM5USP30
SCHEMBL15239513 0.81 HPGDS (0.44) GPR119BTKHPGDSPRMT5USP30
SCHEMBL15239511 0.81 HPGDS (0.44) GPR119BTKHPGDSPRMT5USP30
SCHEMBL2733119 0.78 BTK (0.44) BTKPRMT5USP30
SCHEMBL13854942 0.78 USP30 (0.49) GPR119BTKUSP30
SCHEMBL15248207 0.77 USP30 (0.42) GRM1GPR119BTKHPGDSJAK2
SCHEMBL13854943 0.77 USP30 (0.48) GPR119BTKUSP30
SCHEMBL13854941 0.75 PTPN2 (0.47) BTKUSP30P2RY14

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 GRM1 2514/4885GPR119 1125/4885BTK 306/4885

“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.