SCHEMBL218977

SCHEMBL218977

CC(C)(C)OCCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5550792 0.90 GAA (0.66) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL20125317 0.88 RECQL (0.57) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL6570943 0.86 GAA (0.74) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL3431305 0.81 RECQL (0.69) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL24507059 0.81 GAA (0.71) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL14560518 0.80 TDP1 (0.76) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL4851745 0.79 RECQL (0.55) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL2733035 0.79 MAPT (0.61) CYP1A2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22326350 0.78 GAA (0.88) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL15292529 0.78 GAA (0.62) RECQLGAATDP1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091941-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-23 EP 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-7943659-B2 cancerous hyperproliferative disorders; 5-Acetyl-2-(2-fluoro-4-iodo-phenylamino)-1H-pyrrole-3-carboxylic acid; 2-acetyl-5-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1-methyl-1H-imidazole-4-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7943659-B2 cancerous hyperproliferative disorders; 5-Acetyl-2-(2-fluoro-4-iodo-phenylamino)-1H-pyrrole-3-carboxylic acid; 2-acetyl-5-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1-methyl-1H-imidazole-4-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7943659-B2 cancerous hyperproliferative disorders; 5-Acetyl-2-(2-fluoro-4-iodo-phenylamino)-1H-pyrrole-3-carboxylic acid; 2-acetyl-5-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1-methyl-1H-imidazole-4-carboxamide 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-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
EP-2113500-A1 MAPK/ERK kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
EP-2091941-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-26 EP disclosed
EP-2089359-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008140553-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS TAKEDA CALIFORNIA, INC. 2008-08-07 US disclosed
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS TAKEDA CALIFORNIA, INC. 2008-08-07 US disclosed
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS TAKEDA CALIFORNIA, INC. 2008-08-07 US disclosed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US disclosed
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 WO disclosed
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 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 (5 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 RECQL 3961/4885GAA 2827/4885TDP1 1913/4885
US-20080188453-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 RECQL 3839/4885GAA 2792/4885TDP1 3313/4885
US-20100204471-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 RECQL 3839/4885GAA 2792/4885TDP1 3313/4885
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 RECQL 3839/4885GAA 2792/4885TDP1 3313/4885
US-20100113413-A1 MAPK/ERK Kinase Inhibitors MAPK1, MAPK6, MAPK4 RECQL 3679/4885GAA 2772/4885TDP1 1602/4885

“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.