SCHEMBL2277674

SCHEMBL2277674

COCOCC(O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.38
SMC2 O95347 1/20 0.38
EGFR P00533 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAP2K2 P36507 1/20 0.38
SMC1A Q14683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
SRC P12931 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL2021275 0.91 MAP2K1 (0.39) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3862511 0.86 AAK1 (0.35) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19119162 0.86 MAP2K1 (0.37) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL1040290 0.85 MAP2K1 (0.40) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3861298 0.84 MAP2K1 (0.39) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19141367 0.83 TP53 (0.33) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3861938 0.82 MAP2K1 (0.39) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3861235 0.82 MAP2K1 (0.37) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL3860279 0.82 MAP2K1 (0.55) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL1039631 0.81 MAP2K1 (0.44) MAP2K1SMC2EGFRCSNK2A2MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275102-B1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2015-07-29 EP disclosed
US-8513293-B2 Methods of treating a hyperproliferative disorder or inhibiting cell growth in a mammal ARRAY BIOPHARMA INC. (US) 2013-08-20 US disclosed
EP-2130536-B1 N3 alkylated benzimidazole derivatives as mek inhibitors ARRAY BIOPHARMA INC (US) 2013-05-08 EP disclosed
EP-2130537-B1 N3 alkylated benzimidazole derivatives as mek inhibitors ARRAY BIOPHARMA INC (US) 2012-11-14 EP disclosed
US-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal ARRAY BIOPHARMA INC. (US) 2012-11-01 US disclosed
US-8003805-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20100261718-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-10-14 US disclosed
US-20100261717-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-10-14 US disclosed
EP-1663210-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-04-22 EP disclosed
US-7425637-B2 mitogen-activated protein/extracellular signal-regulated (MAP/ERK)Kinase pathways; 6-(4-bromo-2-fluorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethoxy)-amide; hyperproliferative diseases; anticarcinogenic and antiinflammatory agent ARRAY BIOPHARMA INC. (US) 2008-09-16 US disclosed
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-17 US disclosed
EP-1663210-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2006-06-07 EP disclosed
EP-1482932-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-05 EP disclosed
US-20050143438-A1 N3 alkylated benzimidazole derivatives as MEk inhibitors ALEXION PHARMA INTERNATIONAL OPERATIONS LIMITED (IE) 2005-06-30 US disclosed
WO-2005023251-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
EP-1482932-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2004-12-08 EP disclosed
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
WO-2003077914-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 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 (6 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-20100261718-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CDK9, NRAS MAP2K1 198/4885SMC2 3317/4885EGFR 235/4885
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAP2K1 164/4885SMC2 3447/4885EGFR 206/4885
US-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal PCNA, MKI67, HRAS MAP2K1 1776/4885SMC2 710/4885EGFR 273/4885
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CDK2 MAP2K1 106/4885SMC2 2986/4885EGFR 251/4885
US-20050143438-A1 N3 alkylated benzimidazole derivatives as MEk inhibitors BRAF, CCNI, NRAS MAP2K1 164/4885SMC2 3447/4885EGFR 206/4885
US-20100261717-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAP2K1 164/4885SMC2 3447/4885EGFR 206/4885

“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.