SCHEMBL3859991

SCHEMBL3859991

O=Cc1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
MAP2K1 Q02750 3/20 0.38
SMC2 O95347 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 2/20 0.36
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19141344 0.87 EGFR (0.34) EGFRMAP2K1MAP2K2KMT2AMEN1
SCHEMBL1039221 0.85 SMC2 (0.33) EGFRMAP2K1SMC2CSNK2A2MAP2K2
SCHEMBL27670445 0.83 MAP2K1 (0.42) EGFRMAP2K1SMC2CSNK2A2MAP2K2
SCHEMBL1038071 0.82 MAP2K1 (0.45) EGFRMAP2K1SMC2CSNK2A2MAP2K2
SCHEMBL6016744 0.82 MAP2K1 (0.40) EGFRMAP2K1SMC2CSNK2A2MAP2K2
SCHEMBL18272624 0.81 MAP2K1 (0.49) EGFRMAP2K1SMC2CSNK2A2MAP2K2
SCHEMBL16938821 0.80 SRC (0.36) SRCKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1076189 0.80 MAP2K1 (0.42) EGFRMAP2K1SMC2CSNK2A2MAP2K2
SCHEMBL6727195 0.80 SRC (0.45) EGFRMAP2K1SMC2CSNK2A2MAP2K2
SCHEMBL3866011 0.80 MAP2K1 (0.38) EGFRMAP2K1SMC2CSNK2A2MAP2K2

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 58 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
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-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-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-8193229-B2 Method of treatment using N3 alkylated benzimidazole derivatives as MEK inhibitors 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
CN-1874768-A N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2006-12-06 CN 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
CN-1652776-A N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2005-08-10 CN 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 (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-20120277277-A1 Methods of Treating a Hyperproliferative Disorder or Inhibiting Cell Growth in a Mammal PCNA, MKI67, HRAS EGFR 273/4885MAP2K1 1776/4885SMC2 710/4885
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CDK2 EGFR 251/4885MAP2K1 106/4885SMC2 2986/4885

“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.