SCHEMBL5872869

SCHEMBL5872869

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCCN(c3ccncc3Oc3ccccc3)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4C Q9H3R0 3/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
ROCK2 O75116 1/20 0.33
PRKG1 Q13976 1/20 0.33
MDM2 Q00987 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL5873041 0.86 ROCK2 (0.39) MEN1KMT2ATDP1KDM4CTRPC6
SCHEMBL5872899 0.83 NPSR1 (0.39) MAP2K2MAP2K1ALDH1A1TSHRNPSR1
SCHEMBL5872833 0.81 MEN1 (0.39) MAP2K2MAP2K1ALDH1A1TSHRMEN1
SCHEMBL5872904 0.79 MAP2K1 (0.42) MAP2K2MAP2K1ALDH1A1TSHRNPSR1
SCHEMBL5872922 0.79 MAPT (0.41) MAP2K2MAP2K1ALDH1A1TSHRNPSR1
SCHEMBL5872972 0.78 MAPT (0.41) MAP2K2MAP2K1ALDH1A1TSHRNPSR1
SCHEMBL5872805 0.78 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5872769 0.78 SLC6A9 (0.39) MAP2K2MAP2K1ALDH1A1NPSR1MEN1
SCHEMBL5872955 0.76 MAP2K1 (0.42) MAP2K2MAP2K1ALDH1A1MEN1KMT2A
SCHEMBL5872944 0.76 MAP2K1 (0.43) MAP2K2MAP2K1MEN1KMT2ATDP1

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 MAP2K2 61/4885MAP2K1 71/4885ALDH1A1 1236/4885

“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.