SCHEMBL1076321

SCHEMBL1076321

COC(=O)c1cc([N+](=O)[O-])c(N)c(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
WDR5 P61964 2/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SIRT6 Q8N6T7 1/20 0.39
GAA P10253 2/20 0.38
NQO2 P16083 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
G6PD P11413 1/20 0.38

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
SCHEMBL670584 0.87 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
Hydrochloric Acid SCHEMBL7539373 0.86 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL18752885 0.84 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2522874 0.84 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1038884 0.82 ALDH1A1 (0.43) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL2929607 0.82 PDGFRB (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL15821929 0.81 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL23496741 0.79 ABL1 (0.46) ABL1ALDH1A1KDM4EGAANQO2
SCHEMBL23496738 0.79 GAA (0.51) ABL1ALDH1A1KDM4EGAANQO2
SCHEMBL2522809 0.79 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000810-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR ARRAY BIOPHARMA INC (US) 2017-07-19 EP disclosed
EP-1663210-B1 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2017-04-19 EP disclosed
EP-3000810-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR Array Biopharma, Inc. (US) 2016-03-30 EP disclosed
EP-2275102-B1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2015-07-29 EP disclosed
US-8580785-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-11-12 US 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-8193231-B2 Compositions comprising N3 alkylated benzimidazole derivatives as MEK inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-06-05 US disclosed
US-7235537-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. (US) 2007-06-26 US disclosed
WO-2007020050-A2 BICYCLIC BISAMIDE DERIVATIVES AND USE THEREOF AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO 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-20040116710-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2004-06-17 US 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 (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-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal PCNA, MKI67, HRAS PDGFRB 1366/4885FGFR1 45/4885PDGFRA 1166/4885
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CDK2 PDGFRB 536/4885FGFR1 572/4885PDGFRA 562/4885
US-20050143438-A1 N3 alkylated benzimidazole derivatives as MEk inhibitors BRAF, CCNI, NRAS PDGFRB 376/4885FGFR1 506/4885PDGFRA 484/4885

“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.