SCHEMBL2731632

SCHEMBL2731632

CC(C)[Si](C#Cc1ccc2c(c1)c(-c1ccncc1)nn2C(=O)OC(C)(C)C)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.43
GABRA1 P14867 6/20 0.35
GABRA5 P31644 4/20 0.35
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA2 P47869 5/20 0.34
GABRA6 Q16445 3/20 0.34
GABRA3 P34903 4/20 0.32
TTBK1 Q5TCY1 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
GRM5 P41594 1/20 0.31
BTK Q06187 1/20 0.31
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL2731689 0.84 GABRG2 (0.48) MAP2K4GABRA1GABRA5GABRG2GABRB3
SCHEMBL2731864 0.78 MAP2K4 (0.49) MAP2K4GPR119USP30
SCHEMBL25994433 0.69 MAP2K4 (0.56) MAP2K4
SCHEMBL3635142 0.69 MAP2K4 (0.55) MAP2K4
SCHEMBL22801881 0.69 MAP2K4 (0.50) MAP2K4KDR
SCHEMBL4006762 0.69 MAP2K4 (0.58) MAP2K4BTK
SCHEMBL22801842 0.68 MAP2K4 (0.52) MAP2K4GPR119
SCHEMBL14764815 0.67 MAP2K4 (0.51) MAP2K4USP30
SCHEMBL22801674 0.67 MAP2K4 (0.51) MAP2K4GABRA1GABRA5GABRG2GABRB3
SCHEMBL6855326 0.67 MAP2K4 (0.38) MAP2K4GPR119BTKKDRAAK1

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 MAP2K4 73/4885GABRA1 3547/4885GABRA5 4108/4885

“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.