SCHEMBL5872904

SCHEMBL5872904

COc1ccc(N2CCN(C(=O)c3cc(C(=O)O)c(Nc4ccc(I)cc4C)c(F)c3F)CC2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.42
MAP2K2 P36507 4/20 0.42
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CPS1 P31327 2/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 6/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL5872922 0.82 MAPT (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872799 0.82 MAP2K1 (0.49) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872972 0.81 MAPT (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872769 0.81 SLC6A9 (0.39) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872945 0.80 MAP2K1 (0.43) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872833 0.80 MEN1 (0.39) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872869 0.79 MAP2K2 (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872758 0.79 MAP2K1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5873116 0.79 MAP2K1 (0.48) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5872944 0.78 MAP2K1 (0.43) 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 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 MAP2K1 71/4885MAP2K2 61/4885HSP90AA1 3305/4885

“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.