SCHEMBL6137969

SCHEMBL6137969

NS(=O)(=O)c1cc(-n2nn[nH]c2=O)c(Nc2ccc(I)cc2Cl)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.38
RAF1 P04049 1/20 0.35
PDGFRB P09619 1/20 0.35
CSNK2A2 P19784 1/20 0.35
MAP2K2 P36507 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 6/20 0.32
CA2 P00918 6/20 0.32
CA9 Q16790 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
SCHEMBL6137769 0.89 MEN1 (0.37) MAP2K1
SCHEMBL6138060 0.86 MAP2K1 (0.34) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6138007 0.74 MAP2K1 (0.33) MAP2K1MAP2K2CA2
SCHEMBL6137728 0.74 MAP2K1 (0.40) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6139021 0.73 SOS1 (0.36) CA1CA2CA9
SCHEMBL6266645 0.72 MAP2K1 (0.64) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6137890 0.72 MAP2K1 (0.41) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6138126 0.72 MAP2K1 (0.40) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6138011 0.71 MAP2K1 (0.39) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6266420 0.71 MAP2K1 (0.53) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2

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 3800/4885RAF1 1596/4885PDGFRB 3312/4885

“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.