SCHEMBL16224880

SCHEMBL16224880

C[C@@H](NCc1nc2cnn(COCC[Si](C)(C)C)c2cc1NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
CTRB1 P17538 1/20 0.39
MAPK1 P28482 13/20 0.34
SCD O00767 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
BRD4 O60885 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL16213333 0.91 MAPK1 (0.37) MAPK1GPR139
SCHEMBL16224858 0.82 MAPK1 (0.32) MAPK1
SCHEMBL16213587 0.77 GSK3B (0.32) SCDACSS2BRD4
SCHEMBL16213623 0.77 GSK3B (0.32) ACSS2
SCHEMBL11890435 0.73 BRD9 (0.40) SCDBRD4CTSK
SCHEMBL943944 0.70 CYP17A1 (0.33) SCD
SCHEMBL25321588 0.69 CYP17A1 (0.33)
SCHEMBL1593250 0.67 MAPKAPK2 (0.38)
SCHEMBL29300799 0.66 IDO1 (0.36)
SCHEMBL29300801 0.66 AAK1 (0.41)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
EP-2991654-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-11-21 EP disclosed
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-08 US disclosed
US-10065967-B2 Compounds that are ERK inhibitors Merck, Sharp & Dohme Corp. (US) 2018-09-04 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 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 (5 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-10759805-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 ELANE 1811/4885CTRB1 3351/4885MAPK1 1/4885
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 ELANE 2250/4885CTRB1 3356/4885MAPK1 1/4885
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 ELANE 2250/4885CTRB1 3356/4885MAPK1 1/4885
US-10065967-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 ELANE 1811/4885CTRB1 3351/4885MAPK1 1/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 ELANE 1667/4885CTRB1 3622/4885MAPK1 1/4885

“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.