SCHEMBL220898

SCHEMBL220898

Cn1c(Nc2ccc(Br)cc2Cl)c(C(N)=O)c(=O)n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K1 Q02750 3/20 0.39
MAP2K2 P36507 1/20 0.38
HTT P42858 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL220490 0.86 MAP2K1 (0.55) MAP2K1MAP2K2HTTSMN1; SMN2
SCHEMBL219899 0.83 ALDH1A1 (0.43) KDM4EMAP2K1HTTL3MBTL1LMNA
SCHEMBL219751 0.82 MAP2K1 (0.54) MAP2K1MAP2K2
SCHEMBL15866536 0.78 MAP2K1 (0.43) KDM4EMAPK1MAP2K1MAP2K2HTT
SCHEMBL219481 0.75 IDO1 (0.41) KDM4EMAP2K1MAP2K2HTTMAPT
SCHEMBL14647529 0.75 MAP2K1 (0.54) MAP2K1MAP2K2HTTLMNAMAPT
SCHEMBL28821845 0.74 L3MBTL1 (0.39) KDM4EMAPK1MAP2K1HTTL3MBTL1
SCHEMBL14632018 0.74 MAP2K1 (0.46) MAPK1MAP2K1MAP2K2HTTLMNA
SCHEMBL217405 0.74 MAP2K1 (0.54) MAP2K1MAP2K2
SCHEMBL27765754 0.72 MAP2K1 (0.37) MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563338-A MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2009-10-21 CN claimed
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-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-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
CN-101563338-A MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2009-10-21 CN 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
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 (3 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 KDM4E 1373/4885MAPK1 1/4885MAP2K1 43/4885
US-20100204471-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 KDM4E 2687/4885MAPK1 1/4885MAP2K1 44/4885
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 KDM4E 2687/4885MAPK1 1/4885MAP2K1 44/4885

“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.