SCHEMBL5872858

SCHEMBL5872858

CNC(=O)c1cc(C(=O)O)c(Nc2ccc(I)cc2C)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.51
MAP2K2 P36507 5/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
IDO1 P14902 3/20 0.48
MAPK1 P28482 1/20 0.46
AURKA O14965 3/20 0.43
TNFRSF1A P19438 3/20 0.43
KDR P35968 2/20 0.43
MAP3K9 P80192 2/20 0.43
SRC P12931 2/20 0.42
PRKCB P05771 1/20 0.42
STK3 Q13188 1/20 0.42
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FGFR1 P11362 1/20 0.40
EPHA2 P29317 1/20 0.40

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
SCHEMBL5872861 0.95 MEN1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872850 0.91 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL24849049 0.86 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872748 0.85 MEN1 (0.51) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4853895 0.85 MEN1 (0.62) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872842 0.84 MEN1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872768 0.83 SORT1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL2387610 0.83 MAP2K1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4861973 0.83 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035677 0.83 MAP2K1 (0.55) MAP2K1MAP2K2MEN1KMT2ATDP1

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-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed
US-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors BIWERSI CATHLIN (US) 2003-12-04 US disclosed
EP-1339702-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-09-03 EP disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 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-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors NRAS, MAPK6, MAPK12 MAP2K1 71/4885MAP2K2 61/4885MEN1 2841/4885

“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.