SCHEMBL11994397

SCHEMBL11994397

CC(C)c1ccc(-c2ncccn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.41
DYRK1A Q13627 1/20 0.41
RPS6KA3 P51812 1/20 0.41
ALOX5AP P20292 6/20 0.40
FEN1 P39748 6/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC4 P56524 1/20 0.38
ADRB2 P07550 2/20 0.37
VCP P55072 1/20 0.36
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
KAT6A Q92794 1/20 0.35
NAAA Q02083 1/20 0.35
CYP2A6 P11509 1/20 0.34

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
SCHEMBL14570076 0.82 NAAA (0.43) RPS6KA3ALOX5APFEN1HDAC6NAAA
SCHEMBL12985716 0.79 KMO (0.40) RPS6KA3ALOX5APFEN1
SCHEMBL6642380 0.78 NOTUM (0.47) CLK4DYRK1AADRB2VCPPIK3CD
SCHEMBL16606145 0.77 AAK1 (0.49) DYRK1A
SCHEMBL25841973 0.77 FFAR1 (0.50) ALOX5APFEN1NAAA
SCHEMBL2560523 0.77 NISCH (0.49) CLK4DYRK1AHDAC6HDAC4ADRB2
SCHEMBL10308908 0.76 HDAC6 (0.38) RPS6KA3ALOX5APFEN1HDAC6NAAA
SCHEMBL12263196 0.76 CYP11B2 (0.51) RPS6KA3CYP2A6
SCHEMBL22040193 0.75 RPS6KA3 (0.46) RPS6KA3ALOX5APFEN1HDAC4PIK3CD
SCHEMBL11994410 0.74 ALOX5AP (0.35) RPS6KA3ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US 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 (4 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 CLK4 917/4885DYRK1A 2134/4885RPS6KA3 195/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 CLK4 666/4885DYRK1A 1286/4885RPS6KA3 131/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CLK4 635/4885DYRK1A 1069/4885RPS6KA3 129/4885
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 CLK4 1528/4885DYRK1A 2020/4885RPS6KA3 93/4885

“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.