SCHEMBL2732920

SCHEMBL2732920

Cn1nc(-c2ccc3[nH]nc(Br)c3c2)nc1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.42
CHEK2 O96017 2/20 0.42
PRMT5 O14744 3/20 0.42
SCN9A Q15858 1/20 0.40
CNR1 P21554 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PIK3CD O00329 4/20 0.38
HTT P42858 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TRPV3 Q8NET8 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
SCHEMBL2732410 1.00 HPGDS (0.42) HPGDSCHEK2PRMT5SCN9ACNR1
SCHEMBL2731608 0.89 HPGDS (0.41) HPGDSCHEK2PRMT5USP30
SCHEMBL2731610 0.89 HPGDS (0.41) HPGDSCHEK2PRMT5USP30
SCHEMBL2731625 0.86 HPGDS (0.46) HPGDSCHEK2PRMT5SCN9AJAK2
SCHEMBL2731621 0.86 HPGDS (0.46) HPGDSCHEK2PRMT5SCN9AJAK2
SCHEMBL15248281 0.86 SCN9A (0.43) HPGDSCHEK2PRMT5SCN9ACNR1
SCHEMBL17801083 0.81 HPGDS (0.45) HPGDSCHEK2PRMT5CNR1PIK3CD
SCHEMBL17801068 0.78 HTT (0.47) HPGDSCHEK2PRMT5CNR1HTT
SCHEMBL15248275 0.77 HPGDS (0.44) HPGDSCHEK2PRMT5SCN9AJAK2
SCHEMBL17801042 0.72 CHEK2 (0.39) CHEK2PRMT5CNR1USP30

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 HPGDS 1104/4885CHEK2 142/4885PRMT5 839/4885

“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.