SCHEMBL1038046

SCHEMBL1038046

COC(=O)c1cc2nc[nH]c2c(F)c1Nc1ccc(Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
TEK Q02763 1/20 0.38
NR4A2 P43354 1/20 0.37
MAP2K1 Q02750 8/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EGFR P00533 1/20 0.35
ABCB11 O95342 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL1075382 0.90 MAP2K1 (0.43) MAPTGAATHRBTEKMAP2K1
SCHEMBL8059139 0.89 MAP2K1 (0.43) MAPTGAATHRBL3MBTL1NR4A2
SCHEMBL3886544 0.88 MEN1 (0.45) MAP2K1MEN1KMT2AGFERSMN1; SMN2
SCHEMBL1078430 0.86 CYP2C9 (0.45) GAANR4A2MEN1KMT2ANPC1
SCHEMBL8059115 0.85 MKNK1 (0.40) L3MBTL1NR4A2KMT2ASMN1; SMN2NPC1
SCHEMBL1077501 0.84 MAPT (0.41) MAPTGAATHRBTEKNR4A2
SCHEMBL1040419 0.81 MEN1 (0.56) MAP2K1MEN1KMT2AEGFRABCB11
SCHEMBL5990169 0.79 MEN1 (0.43) MAP2K1MEN1KMT2AGFERSMN1; SMN2
SCHEMBL4545994 0.78 MAPT (0.43) MAPTMEN1KMT2AGFERSMN1; SMN2
SCHEMBL5988682 0.78 MEN1 (0.45) MAP2K1MEN1KMT2AMAPK1MAP2K2

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 41 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-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-8193229-B2 Method of treatment using N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2012-06-05 US disclosed
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC. (US) 2007-12-27 US disclosed
US-7235537-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. (US) 2007-06-26 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-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 (4 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 MAPT 4275/4885GAA 454/4885THRB 2326/4885
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CDK2 MAPT 4763/4885GAA 3150/4885THRB 1665/4885
US-20050143438-A1 N3 alkylated benzimidazole derivatives as MEk inhibitors BRAF, CCNI, NRAS MAPT 4838/4885GAA 3646/4885THRB 1717/4885
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAPT 4844/4885GAA 3576/4885THRB 1516/4885

“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.