SCHEMBL6137830

SCHEMBL6137830

Cc1cc(I)ccc1Nc1c(-n2nnn(C)c2=O)cc(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAP2K1 Q02750 16/20 0.38
MAPK1 P28482 1/20 0.36
IDO1 P14902 2/20 0.35
MAP2K2 P36507 5/20 0.35
MAP2K5 Q13163 2/20 0.33
EIF2AK1 Q9BQI3 1/20 0.32

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
SCHEMBL6138049 0.89 MEN1 (0.38) MEN1KMT2ATDP1MAP2K1MAPK1
SCHEMBL6138078 0.89 MAP2K1 (0.45) MEN1KMT2ATDP1MAP2K1MAPK1
SCHEMBL6137924 0.80 IDO1 (0.39) MAP2K1IDO1MAP2K2MAP2K5EIF2AK1
SCHEMBL6138005 0.76 IDO1 (0.35) MEN1KMT2ATDP1MAP2K1IDO1
SCHEMBL6138030 0.76 IDO1 (0.35) MEN1KMT2ATDP1MAP2K1MAPK1
SCHEMBL6138057 0.74 MEN1 (0.43) MEN1KMT2ATDP1MAP2K1MAPK1
SCHEMBL6138164 0.74 MEN1 (0.45) MEN1KMT2ATDP1MAP2K1MAPK1
SCHEMBL6137908 0.73 MEN1 (0.42) MEN1KMT2ATDP1MAP2K1MAPK1
SCHEMBL4853895 0.72 MEN1 (0.62) MEN1KMT2ATDP1MAP2K1MAPK1
SCHEMBL6855994 0.71 MEN1 (0.53) MEN1KMT2ATDP1MAP2K1MAPK1

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 12 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 claimed
JP-2003504399-A 2003-02-04 JP claimed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US claimed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP claimed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
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
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 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 MEN1 114/4885KMT2A 467/4885TDP1 276/4885

“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.