SCHEMBL4545995

SCHEMBL4545995

CONC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.40
HPGD P15428 1/20 0.40
MAP2K1 Q02750 6/20 0.39
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP2K2 P36507 2/20 0.37
SMC2 O95347 1/20 0.37
EGFR P00533 1/20 0.37
CSNK2A2 P19784 1/20 0.37
SMC1A Q14683 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
ACLY P53396 1/20 0.37
NUDT1 P36639 3/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL1039197 0.90 ALDH1A1 (0.41) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL9886074 0.90 MEN1 (0.43) RAB9ASMN1; SMN2PTGS2MAP2K1TDP1
SCHEMBL2877121 0.90 PTGS2 (0.43) RAB9ASMN1; SMN2ALDH1A1PTGS2HPGD
SCHEMBL4546127 0.89 NUDT1 (0.45) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL1040434 0.89 NR4A2 (0.40) RAB9ASMN1; SMN2ALDH1A1PTGS2HPGD
SCHEMBL9886072 0.88 MAP2K1 (0.55) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13636440 0.88 ALDH1A1 (0.50) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
Hydrazine SCHEMBL17625883 0.87 ACLY (0.42) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL6016742 0.87 ACLY (0.44) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL4546025 0.86 PTGS2 (0.48) RAB9ASMN1; SMN2ALDH1A1PTGS2HPGD

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 39 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-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
US-8193230-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-8193230-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-8178693-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2012-05-15 US disclosed
US-8178693-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2012-05-15 US disclosed
US-8003805-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US 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-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-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-24 US disclosed
US-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-24 US disclosed
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-17 US disclosed
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-17 US disclosed
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC. (US) 2007-12-27 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
US-7235537-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. (US) 2007-06-26 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-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS RAB9A 356/4885SMN1; SMN2 3319/4885ALDH1A1 1438/4885
US-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS RAB9A 356/4885SMN1; SMN2 3319/4885ALDH1A1 1438/4885
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS RAB9A 278/4885SMN1; SMN2 3546/4885ALDH1A1 1591/4885

“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.