SCHEMBL5740677

SCHEMBL5740677

COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(I)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.49
MAP2K2 P36507 8/20 0.49
ABCB11 O95342 1/20 0.49
NQO2 P16083 1/20 0.49
SMC2 O95347 1/20 0.47
EGFR P00533 1/20 0.47
CSNK2A2 P19784 1/20 0.47
SMC1A Q14683 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
Q6ZSR9 Q6ZSR9 1/20 0.47
BMP2K Q9NSY1 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRAF P15056 1/20 0.39
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 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
SCHEMBL14590716 0.91 MAP2K1 (0.47) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL1342950 0.91 MAP2K1 (0.56) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL5742416 0.90 MAP2K1 (0.48) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL5741150 0.89 MAP2K1 (0.57) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14590619 0.89 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14590613 0.87 MAP2K1 (0.54) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL27608155 0.84 MAP2K1 (0.44) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL27608158 0.84 MAP2K1 (0.43) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL22386394 0.84 MAP2K1 (0.57) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14590608 0.84 MAP2K1 (0.72) MAP2K1MAP2K2ABCB11NQO2SMC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed
US-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed
US-20060106225-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. 2006-05-18 US disclosed
EP-1482944-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-19 EP disclosed
CN-1652792-A N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2005-08-10 CN disclosed
EP-1482944-A2 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2004-12-08 EP disclosed
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. 2003-11-20 US disclosed
WO-2003077855-A2 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-20060106225-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CCNT1 MAP2K1 130/4885MAP2K2 115/4885ABCB11 2065/4885
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CCNT1 MAP2K1 110/4885MAP2K2 115/4885ABCB11 1821/4885

“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.