SCHEMBL2731864

SCHEMBL2731864

CC(C)(C)OC(=O)n1nc(-c2ccncc2)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.49
ELANE P08246 8/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
USP30 Q70CQ3 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
PDGFRA P16234 1/20 0.34
CDK5 Q00535 1/20 0.34
TYRO3 Q06418 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.33
NAMPT P43490 1/20 0.33
PTGFR P43088 1/20 0.33
KRAS P01116 1/20 0.33

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
SCHEMBL3635142 0.89 MAP2K4 (0.55) MAP2K4ELANECCNB2CDK1CCNB1
SCHEMBL14764815 0.87 MAP2K4 (0.51) MAP2K4ELANECCNB2CDK1CCNB1
SCHEMBL24148970 0.87 MAP2K4 (0.51) MAP2K4ELANECCNB2CDK1CCNB1
SCHEMBL2731689 0.83 GABRG2 (0.48) MAP2K4USP30GPR119RORCNAMPT
SCHEMBL24148625 0.82 AXL (0.46) MAP2K4CCNB2CDK1CCNB1GSK3B
SCHEMBL28553373 0.82 MAP2K4 (0.37) MAP2K4ELANEUSP30GPR119
SCHEMBL29556217 0.82 MAP2K4 (0.37) MAP2K4ELANEUSP30GPR119
SCHEMBL24148229 0.81 MAP2K4 (0.45) MAP2K4ELANECCNB2CDK1CCNB1
SCHEMBL24148209 0.81 MAP2K4 (0.54) MAP2K4ELANECCNB2CDK1CCNB1
SCHEMBL931118 0.80 ELANE (0.43) MAP2K4ELANECCNB2CDK1CCNB1

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 73/4885ELANE 3753/4885CCNB2 456/4885

“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.