SCHEMBL219587

SCHEMBL219587

CCOC(=O)c1c(Nc2ccccc2F)n(C)c(=O)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
PABPC1 P11940 1/20 0.42
PLK1 P53350 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL218952 0.84 MAP2K1 (0.58)
SCHEMBL219899 0.76 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL220815 0.72 MAP2K1 (0.47)
SCHEMBL12274474 0.70 MAP2K1 (0.56)
SCHEMBL14015151 0.70 MAP2K1 (0.42) ALDH1A1SMN1; SMN2MAPTTSHRHTT
SCHEMBL2760357 0.69 KMT2A (0.57) ALDH1A1KDM4ESMN1; SMN2MAPTTSHR
SCHEMBL14647529 0.69 MAP2K1 (0.54) MAPTLMNAHTT
SCHEMBL12274766 0.69 MAP2K1 (0.55)
SCHEMBL13063536 0.69 MAP2K1 (0.52)
SCHEMBL18721868 0.69 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US claimed
US-8088783-B2 MAPK/ERK kinase inhibitors DONG QING (US) 2012-01-03 US disclosed
US-8088783-B2 MAPK/ERK kinase inhibitors DONG QING (US) 2012-01-03 US disclosed
US-20110190261-A1 MAPK/ERK Kinase Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20110190261-A1 MAPK/ERK Kinase Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-7943626-B2 Substituted 1,3-dialkyl-2,4-dioxo-6-(pyridylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7943626-B2 Substituted 1,3-dialkyl-2,4-dioxo-6-(pyridylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-20100204471-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 US disclosed
US-20100204471-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 US disclosed
US-20100204471-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 US disclosed
US-20100113413-A1 MAPK/ERK Kinase Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-7696218-B2 Substituted 1,3-dialkyl-2,4-dioxo-6-(arylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase TAKEDA SAN DIEGO, INC. (US) 2010-04-13 US disclosed
US-7696218-B2 Substituted 1,3-dialkyl-2,4-dioxo-6-(arylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase TAKEDA SAN DIEGO, INC. (US) 2010-04-13 US disclosed
US-7696218-B2 Substituted 1,3-dialkyl-2,4-dioxo-6-(arylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase TAKEDA SAN DIEGO, INC. (US) 2010-04-13 US disclosed
EP-2091941-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-26 EP disclosed
WO-2008140553-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008140553-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 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-20110190261-A1 MAPK/ERK Kinase Inhibitors MAPK1, MAPK4, MAPK6 ALDH1A1 1803/4885KDM4E 1373/4885SMN1; SMN2 4155/4885
US-20100204471-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 ALDH1A1 2921/4885KDM4E 2687/4885SMN1; SMN2 4320/4885
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 ALDH1A1 2921/4885KDM4E 2687/4885SMN1; SMN2 4320/4885
US-20100113413-A1 MAPK/ERK Kinase Inhibitors MAPK1, MAPK6, MAPK4 ALDH1A1 1553/4885KDM4E 1312/4885SMN1; SMN2 4197/4885

“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.