SCHEMBL2877121

SCHEMBL2877121

Cc1cc(Cl)ccc1Nc1c(C(=O)NOC(C)(C)C)cc2[nH]cnc2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAP2K1 Q02750 5/20 0.38
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K2 P36507 2/20 0.36
SMC2 O95347 1/20 0.36
EGFR P00533 1/20 0.36
CSNK2A2 P19784 1/20 0.36
SMC1A Q14683 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
Q6ZSR9 Q6ZSR9 1/20 0.36
BMP2K Q9NSY1 1/20 0.36
ACLY P53396 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 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
SCHEMBL9886075 0.91 KMT2A (0.40) PTGS2RAB9ASMN1; SMN2MAP2K1TDP1
SCHEMBL4545995 0.90 RAB9A (0.40) PTGS2RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1039197 0.88 ALDH1A1 (0.41) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL4546127 0.87 NUDT1 (0.45) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL9886072 0.86 MAP2K1 (0.55) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13636440 0.86 ALDH1A1 (0.50) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
Hydrazine SCHEMBL17625883 0.85 ACLY (0.42) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL1040434 0.85 NR4A2 (0.40) PTGS2RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL6016742 0.85 ACLY (0.44) RAB9ASMN1; SMN2ALDH1A1HPGDMAP2K1
SCHEMBL4546025 0.84 PTGS2 (0.48) PTGS2RAB9ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842816-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2010-11-30 US claimed
EP-1663210-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-04-22 EP claimed
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC. (US) 2007-12-27 US claimed
US-7235537-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. (US) 2007-06-26 US claimed
JP-2007504139-A 2007-03-01 JP claimed
CN-1874768-A N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2006-12-06 CN claimed
EP-1663210-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2006-06-07 EP claimed
WO-2005023251-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-03-17 WO claimed
US-20040116710-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2004-06-17 US claimed
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
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-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 (2 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 PTGS2 2122/4885RAB9A 356/4885SMN1; SMN2 3319/4885
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS PTGS2 2139/4885RAB9A 278/4885SMN1; SMN2 3546/4885

“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.