SCHEMBL2877129

SCHEMBL2877129

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCOP(=O)(O)O)cc21

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.82
MAP2K2 P36507 2/20 0.82
SMC2 O95347 1/20 0.82
EGFR P00533 1/20 0.82
CSNK2A2 P19784 1/20 0.82
SMC1A Q14683 1/20 0.82
AAK1 Q2M2I8 1/20 0.82
Q6ZSR9 Q6ZSR9 1/20 0.82
BMP2K Q9NSY1 1/20 0.82
ABCB11 O95342 1/20 0.69
NQO2 P16083 1/20 0.69
BRAF P15056 3/20 0.41

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
SCHEMBL4546010 0.92 MAP2K1 (0.87) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL26937962 0.90 MAP2K1 (0.85) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1038067 0.90 MAP2K1 (0.85) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL21501424 0.90 MAP2K1 (0.87) MAP2K1MAP2K2SMC2EGFRCSNK2A2
Selumetinib SCHEMBL29555068 0.90 MAP2K1 (1.00) MAP2K1MAP2K2SMC2EGFRCSNK2A2
Selumetinib SCHEMBL155456 0.90 MAP2K1 (1.00) MAP2K1MAP2K2SMC2EGFRCSNK2A2
Selumetinib SCHEMBL29353582 0.90 MAP2K1 (1.00) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL30733321 0.89 MAP2K1 (0.82) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL26928339 0.89 MAP2K1 (0.82) MAP2K1MAP2K2SMC2EGFRCSNK2A2
Selumetinib SCHEMBL30487260 0.89 MAP2K1 (0.88) MAP2K1MAP2K2SMC2EGFRCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663210-B1 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2017-04-19 EP disclosed
US-7842816-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2010-11-30 US disclosed
US-7842816-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2010-11-30 US disclosed
US-7842816-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2010-11-30 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-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
US-7235537-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. (US) 2007-06-26 US disclosed
US-20040116710-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2004-06-17 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 (1 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-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAP2K1 170/4885MAP2K2 159/4885SMC2 4035/4885

“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.