SCHEMBL5743948

SCHEMBL5743948

Cc1cc(I)ccc1Nc1c(C(=O)NOCC2CC2)cc2c(ncn2C)c1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MAP2K1 Q02750 18/20 0.55
MAP2K2 P36507 7/20 0.55
ABCB11 O95342 1/20 0.55
NQO2 P16083 1/20 0.55
CSNK2A2 P19784 2/20 0.54
SMC2 O95347 1/20 0.54
EGFR P00533 1/20 0.54
SMC1A Q14683 1/20 0.54
AAK1 Q2M2I8 1/20 0.54
Q6ZSR9 Q6ZSR9 1/20 0.54
BMP2K Q9NSY1 1/20 0.54
RAF1 P04049 1/20 0.53
PDGFRB P09619 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
AURKC Q9UQB9 1/20 0.53

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
SCHEMBL14590508 0.92 MEN1 (0.57) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5742376 0.91 MAP2K1 (0.66) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL12957164 0.91 MEN1 (0.56) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14590609 0.91 MEN1 (0.66) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14590612 0.91 MEN1 (0.66) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4420320 0.90 MAP2K1 (0.66) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4546045 0.90 MAP2K1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14590611 0.89 MEN1 (0.64) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14590500 0.88 MEN1 (0.65) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14590608 0.87 MAP2K1 (0.72) MEN1KMT2ATDP1MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106225-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. 2006-05-18 US claimed
EP-1482944-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-19 EP claimed
EP-1482944-A2 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2004-12-08 EP claimed
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. 2003-11-20 US claimed
WO-2003077855-A2 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 WO claimed
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
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 MEN1 1267/4885KMT2A 1335/4885TDP1 860/4885
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CCNT1 MEN1 1679/4885KMT2A 1029/4885TDP1 1040/4885

“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.