SCHEMBL1038874

SCHEMBL1038874

C=COCCONC(=O)c1cc2c(ncn2C)c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.68
MAP2K2 P36507 2/20 0.68
EGFR P00533 2/20 0.68
SMC2 O95347 1/20 0.68
CSNK2A2 P19784 1/20 0.68
SMC1A Q14683 1/20 0.68
AAK1 Q2M2I8 1/20 0.68
Q6ZSR9 Q6ZSR9 1/20 0.68
BMP2K Q9NSY1 1/20 0.68
ABCB11 O95342 1/20 0.57
NQO2 P16083 1/20 0.57
KDR P35968 1/20 0.34
BRAF P15056 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
SCHEMBL30746853 0.92 MAP2K1 (0.81) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL1040194 0.92 MAP2K1 (0.81) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL1037416 0.89 MAP2K1 (0.84) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL4546010 0.84 MAP2K1 (0.87) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL22567807 0.84 MAP2K1 (0.80) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL4546015 0.83 MAP2K1 (0.82) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL4546039 0.82 MAP2K1 (0.80) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL19141419 0.82 MAP2K1 (0.72) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL12957429 0.81 MAP2K1 (0.72) MAP2K1MAP2K2EGFRSMC2CSNK2A2
SCHEMBL18752886 0.81 MAP2K1 (0.65) MAP2K1MAP2K2EGFRSMC2CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003805-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-7973170-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2011-07-05 US disclosed
US-20110158971-A1 COMPOSITIONS COMPRISING N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-06-30 US disclosed
EP-2275102-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors Array Biopharma, Inc. (US) 2011-01-19 EP 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-20110158971-A1 COMPOSITIONS COMPRISING N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS AND METHODS OF USE THEREOF NRAS, BRAF, CCNI MAP2K1 257/4885MAP2K2 167/4885EGFR 259/4885

“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.