SCHEMBL3886544

SCHEMBL3886544

COC(=O)c1cc2nc[nH]c2c(F)c1Nc1ccc(I)cc1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
IDO1 P14902 3/20 0.43
MAP2K1 Q02750 13/20 0.38
MAP2K2 P36507 7/20 0.38
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
PIM1 P11309 1/20 0.35
CAMK2B Q13554 1/20 0.35

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
SCHEMBL5990169 0.91 MEN1 (0.43) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL5763796 0.90 IDO1 (0.52) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL5988682 0.88 MEN1 (0.45) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL1038046 0.88 MAPT (0.42) MEN1KMT2AMAP2K1MAP2K2GFER
SCHEMBL1078430 0.86 CYP2C9 (0.45) MEN1KMT2A
SCHEMBL27583344 0.84 MEN1 (0.43) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL27583342 0.84 MEN1 (0.43) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL5991762 0.84 IDO1 (0.45) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL6137927 0.83 IDO1 (0.40) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL5988793 0.81 MEN1 (0.71) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663210-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-04-22 EP disclosed
EP-1663210-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2006-06-07 EP 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
US-7030119-B1 Method for treating chronic pain using MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-04-18 US disclosed
EP-1482932-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-05 EP disclosed
EP-1144385-B1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2005-08-17 EP disclosed
CN-1652792-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
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
WO-2003077914-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 WO disclosed
US-6469004-B1 Benzoheterocycles and their uses as MEK inhibitors WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144385-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042022-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 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.