SCHEMBL2274062

SCHEMBL2274062

CC(C)Oc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(N)cc23)ccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
METAP2 P50579 1/20 0.32
GRIA1 P42261 1/20 0.32
LCK P06239 1/20 0.31
MAPK1 P28482 2/20 0.31
ACVR2A P27037 1/20 0.31
TGFBR2 P37173 1/20 0.31
PTGER1 P34995 1/20 0.30

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
SCHEMBL2280858 0.89 CNR1 (0.35) KITCNR1ACHECNR2MAPK1
SCHEMBL2274094 0.87 CNR1 (0.36) KITCNR1ACHECNR2MAPK1
SCHEMBL12373961 0.86 PIK3CA (0.37) CNR1ACHECNR2GRIA1MAPK1
SCHEMBL2279834 0.84 L3MBTL1 (0.47) CNR1ACHECNR2
SCHEMBL3268491 0.83 CASR (0.37) CNR1ACHECNR2PTGER1
SCHEMBL17146107 0.83 MAPK1 (0.33) KITMAPK14MAPK13MAPK12MAPK11
SCHEMBL13749233 0.83 MAPK1 (0.33) KITMAPK14MAPK13MAPK12MAPK11
SCHEMBL16025418 0.83 LRRK2 (0.39)
SCHEMBL12374209 0.81 MAPK13 (0.38) KITMAPK14MAPK13MAPK12MAPK11
SCHEMBL2468163 0.81 MERTK (0.34) MAPK14MAPK13MAPK12MAPK11CNR1

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-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-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 KIT 1015/4885MAPK14 26/4885MAPK13 37/4885

“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.