SCHEMBL6137728

SCHEMBL6137728

NS(=O)(=O)c1cc(-c2[nH]nnc2O)c(Nc2ccc(I)cc2Cl)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.40
MAP2K2 P36507 2/20 0.35
RAF1 P04049 1/20 0.35
PDGFRB P09619 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
AURKC Q9UQB9 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA9 Q16790 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
TNIK Q9UKE5 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.30

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
SCHEMBL6137958 0.89 MEN1 (0.37) MAP2K1MAP2K2TNIK
SCHEMBL6137808 0.86 MAP2K1 (0.36) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6137890 0.82 MAP2K1 (0.41) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6137832 0.82 MAP2K1 (0.41) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6137868 0.80 MAP2K1 (0.41) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6137918 0.80 MAP2K1 (0.41) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6138011 0.79 MAP2K1 (0.39) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6137954 0.78 MAP2K1 (0.41) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6138004 0.77 MAP2K1 (0.41) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6138150 0.77 MAP2K1 (0.39) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES 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 (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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS MAP2K1 3800/4885MAP2K2 3505/4885RAF1 1596/4885

“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.