SCHEMBL220306

SCHEMBL220306

Cc1cc(Br)ccc1Nc1c(C(=O)NOCCO)c(=O)n(C)c(=O)n1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.56
MAP2K2 P36507 4/20 0.48
MAP2K5 Q13163 1/20 0.48
EIF2AK1 Q9BQI3 1/20 0.48
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ABCB11 O95342 1/20 0.41
NQO2 P16083 1/20 0.41
SMC2 O95347 1/20 0.40
EGFR P00533 1/20 0.40
CSNK2A2 P19784 1/20 0.40
SMC1A Q14683 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40

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
SCHEMBL219650 0.89 MAP2K1 (0.68) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL219751 0.89 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL221220 0.88 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14632012 0.84 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5EIF2AK1LMNA
SCHEMBL219266 0.79 MAP2K1 (0.70) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL219256 0.79 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL221524 0.78 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL219695 0.77 MAP2K1 (0.71) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL2760364 0.77 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14647524 0.77 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5EIF2AK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091941-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-23 EP claimed
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 claimed
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-29 US claimed
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-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-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-20100113413-A1 MAPK/ERK Kinase Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113413-A1 MAPK/ERK Kinase Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 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
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 MAP2K1 43/4885MAP2K2 40/4885MAP2K5 46/4885
US-20080125437-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAP2K1 44/4885MAP2K2 43/4885MAP2K5 45/4885
US-20100113413-A1 MAPK/ERK Kinase Inhibitors MAPK1, MAPK6, MAPK4 MAP2K1 42/4885MAP2K2 39/4885MAP2K5 45/4885

“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.