SCHEMBL3831191

SCHEMBL3831191

Cn1cnc2c(F)c(Nc3ccc(I)cc3F)c(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.54
MAP2K2 P36507 14/20 0.54
ABCB11 O95342 1/20 0.54
NQO2 P16083 1/20 0.54
SMC2 O95347 1/20 0.46
EGFR P00533 1/20 0.46
CSNK2A2 P19784 1/20 0.46
SMC1A Q14683 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
BRAF P15056 2/20 0.44
MAPK1 P28482 1/20 0.42
MAP2K5 Q13163 1/20 0.42
IDO1 P14902 1/20 0.41
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 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
SCHEMBL14590716 0.91 MAP2K1 (0.47) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL1342950 0.91 MAP2K1 (0.56) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL29413475 0.87 MAP2K1 (0.58) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL1342640 0.87 MAP2K1 (0.58) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL13679413 0.86 MAP2K1 (0.58) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14590635 0.85 MAP2K1 (0.61) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14590707 0.85 MAP2K1 (0.58) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14590585 0.84 MAP2K1 (0.62) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL5740677 0.82 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL5741150 0.82 MAP2K1 (0.57) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651214-B1 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS WARNER LAMBERT CO (US) 2009-09-16 EP disclosed
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-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed
EP-1651214-A2 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2006-05-03 EP disclosed
US-20050026970-A1 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY 2005-02-03 US disclosed
WO-2005009975-A2 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-03 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 (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-20050026970-A1 N-methyl-substituted benzamidazoles CYP3A5, CYP3A7, UGT2B7 MAP2K1 4401/4885MAP2K2 4101/4885ABCB11 93/4885

“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.