SCHEMBL2733119

SCHEMBL2733119

CC(C)(C)OC(=O)N1CCCC(n2cc(-c3ccc4c(c3)c(-c3ccncc3)nn4C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.44
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
TNK2 Q07912 1/20 0.40
RET P07949 1/20 0.38
USP30 Q70CQ3 2/20 0.38
PRMT5 O14744 1/20 0.37
IRAK1 P51617 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
SCHEMBL15248283 0.88 FGFR3 (0.46) BTKFGFR3KDRTNK2USP30
SCHEMBL2734533 0.85 DRD2 (0.34) BTK
SCHEMBL15239511 0.80 HPGDS (0.44) BTKUSP30PRMT5
SCHEMBL15239513 0.80 HPGDS (0.44) BTKUSP30PRMT5
SCHEMBL2732810 0.78 GRM1 (0.38) BTKUSP30PRMT5
SCHEMBL15239585 0.78 GRM1 (0.38) BTKUSP30PRMT5
SCHEMBL2733184 0.78 USP30 (0.39) BTKUSP30PRMT5
SCHEMBL13854941 0.77 PTPN2 (0.47) BTKUSP30
SCHEMBL13854942 0.75 USP30 (0.49) BTKUSP30
SCHEMBL15240308 0.75 KDM2A (0.42) BTKUSP30

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 BTK 306/4885FGFR3 584/4885KDR 1018/4885

“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.