SCHEMBL2280858

SCHEMBL2280858

COc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(N)cc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
ATR Q13535 1/20 0.34
LRRK2 Q5S007 2/20 0.34
MTOR P42345 2/20 0.34
FAAH O00519 1/20 0.34
PIK3CA P42336 1/20 0.34
ADORA2A P29274 1/20 0.33
PDE10A Q9Y233 1/20 0.33
IDO1 P14902 1/20 0.33
MAPK1 P28482 3/20 0.33
ROCK2 O75116 1/20 0.32
KIT P10721 3/20 0.32
TDO2 P48775 1/20 0.32
PTGER1 P34995 1/20 0.31
DYRK1A Q13627 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
SCHEMBL2274094 0.90 CNR1 (0.36) CNR1ACHECNR2ADORA2AMAPK1
SCHEMBL2274062 0.89 KIT (0.34) CNR1ACHECNR2MAPK1KIT
SCHEMBL2468163 0.83 MERTK (0.34) CNR1ACHECNR2ADORA2AMAPK1
SCHEMBL2276443 0.83 L3MBTL1 (0.49) CNR1ACHECNR2
SCHEMBL13748615 0.82 LRRK2 (0.37) CNR1ATRLRRK2MAPK1ROCK2
SCHEMBL173515 0.82 PTGER1 (0.38) CNR1ACHECNR2ADORA2AMAPK1
SCHEMBL30084116 0.82 PTGER1 (0.38) CNR1ACHECNR2ADORA2AMAPK1
SCHEMBL31021936 0.81 MAPK1 (0.34) LRRK2MTORFAAHPDE10AIDO1
SCHEMBL2467778 0.81 TYRO3 (0.35) CNR1ACHECNR2LRRK2MAPK1
SCHEMBL2466902 0.80 ADORA2A (0.46) CNR1ACHECNR2ADORA2AMAPK1

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 10 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

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 CNR1 2588/4885ACHE 4038/4885CNR2 3669/4885

“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.