Sugi Predict

Sugi Predict / Compounds / SCHEMBL2280831

SCHEMBL2280831

SCHEMBL2280831

CC(C)(O)Cn1cnc(-c2ccc(Br)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.38
▸ HDAC6 Q9UBN7 7/20 0.38
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ AHR P35869 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AOC3 Q16853 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL11996746 0.86 RAB9A (0.36) HDAC1HDAC6NR1H2NR1H3ALDH1A1
SCHEMBL11994464 0.82 TP53 (0.39) HDAC1HDAC6MAPTLMNANPC1
SCHEMBL16720944 0.79 XPO1 (0.34) HDAC1HDAC6
SCHEMBL2279055 0.79 NR1H2 (0.45) HDAC1HDAC6NR1H2NR1H3AHR
SCHEMBL12374151 0.77 PSMB5 (0.34) HDAC1HDAC6ALDH1A1
SCHEMBL18121725 0.77 DGAT1 (0.34) HDAC1HDAC6NR1H2NR1H3AOC3
SCHEMBL2279669 0.76 HDAC1 (0.40) HDAC1HDAC6AHRAOC3MEN1
SCHEMBL18113986 0.76 HDAC1 (0.39) HDAC1HDAC6NR1H2NR1H3AHR
SCHEMBL1788608 0.75 HDAC1 (0.39) HDAC1HDAC6NR1H2NR1H3ALDH1A1
SCHEMBL13748989 0.75 HDAC1 (0.30) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 — — EP disclosed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 — — EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 — — US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 — — US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 — — US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
EP-2260031-A1 COMPOUNDS THAT ARE ERK INHIBITORS Schering Corporation (US) 2010-12-15 — — EP disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 — — WO disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 — — 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-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 HDAC1 230/4885HDAC6 563/4885NR1H2 1153/4885

“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.