SCHEMBL5872882

SCHEMBL5872882

CCn1nccc1NC(=O)c1cc(C(=O)O)c(Nc2ccc(I)cc2C)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
MAPK14 Q16539 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP2K1 Q02750 4/20 0.40
MAP2K2 P36507 1/20 0.40
PIK3CA P42336 2/20 0.38
AURKA O14965 3/20 0.38
TNFRSF1A P19438 3/20 0.38
KDR P35968 2/20 0.38
MAP3K9 P80192 2/20 0.38
SRC P12931 2/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FGFR1 P11362 1/20 0.37
EPHA2 P29317 1/20 0.37
CLK1 P49759 1/20 0.37
BTK Q06187 1/20 0.37
MAPK13 O15264 2/20 0.36

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
SCHEMBL5872884 0.96 IDO1 (0.45) IDO1MAPK14MEN1KMT2ATDP1
SCHEMBL5872850 0.79 MAP2K1 (0.56) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5872858 0.78 MAP2K1 (0.51) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5873057 0.77 SORT1 (0.47) IDO1MAPK14MEN1KMT2ATDP1
SCHEMBL24849049 0.77 MAP2K1 (0.56) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5872888 0.77 KMT2A (0.45) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5872768 0.76 SORT1 (0.47) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5872778 0.75 KCNQ3 (0.46) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5872842 0.74 MEN1 (0.47) IDO1MEN1KMT2ATDP1MAP2K1
SCHEMBL5873017 0.74 MAPT (0.47) MEN1KMT2ATDP1MAPK1

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 2 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

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 IDO1 1324/4885MAPK14 17/4885MEN1 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.