SCHEMBL2731689

SCHEMBL2731689

C#Cc1ccc2c(c1)c(-c1ccncc1)nn2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.48
GABRB3 P28472 6/20 0.48
GABRA5 P31644 6/20 0.48
GABRA1 P14867 4/20 0.48
GABRA2 P47869 4/20 0.48
GABRA6 Q16445 3/20 0.48
MAP2K4 P45985 1/20 0.47
GABRA3 P34903 3/20 0.39
GABRA4 P48169 1/20 0.39
RORC P51449 2/20 0.37
GPR119 Q8TDV5 3/20 0.34
BTK Q06187 1/20 0.33
GABRB2 P47870 1/20 0.32
USP30 Q70CQ3 1/20 0.32
NAMPT P43490 4/20 0.32
NR4A2 P43354 1/20 0.31
TTBK1 Q5TCY1 1/20 0.31

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
SCHEMBL2731632 0.84 MAP2K4 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL2731864 0.83 MAP2K4 (0.49) MAP2K4RORCGPR119USP30NAMPT
SCHEMBL3632748 0.82 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL30356750 0.81 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21338406 0.81 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL26289606 0.81 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL25994433 0.74 MAP2K4 (0.56) MAP2K4RORC
SCHEMBL4006762 0.73 MAP2K4 (0.58) MAP2K4RORCBTK
SCHEMBL22801881 0.73 MAP2K4 (0.50) MAP2K4RORCNAMPT
SCHEMBL3635142 0.73 MAP2K4 (0.55) MAP2K4RORC

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 GABRG2 3127/4885GABRB3 3338/4885GABRA5 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.