SCHEMBL5872885

SCHEMBL5872885

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 4/20 0.44
MAP2K2 P36507 2/20 0.44
MAP2K1 Q02750 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
IDO1 P14902 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5872799 0.86 MAP2K1 (0.49) KMT2AMEN1MAP2K2MAP2K1MAPK1
SCHEMBL5873116 0.85 MAP2K1 (0.48) KMT2AMEN1MAP2K2MAP2K1MAPK1
SCHEMBL5872758 0.83 MAP2K1 (0.47) KMT2AMEN1MAP2K2MAP2K1IDO1
SCHEMBL5872791 0.82 MAP2K1 (0.48) KMT2AMEN1MAP2K2MAP2K1MAPK1
SCHEMBL5872740 0.82 MAP2K1 (0.46) KMT2AMEN1MAP2K2MAP2K1IDO1
SCHEMBL5872950 0.82 MAP2K1 (0.46) KMT2AMEN1MAP2K2MAP2K1IDO1
SCHEMBL5872906 0.81 MEN1 (0.47) KMT2AMEN1MAP2K2MAP2K1TDP1
SCHEMBL5872782 0.80 MAP2K1 (0.44) KMT2AMEN1MAP2K2MAP2K1IDO1
SCHEMBL5872805 0.80 ALDH1A1 (0.51) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL5872855 0.80 MAP2K1 (0.42) KMT2AALDH1A1MEN1MAP2K2MAP2K1

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 KMT2A 636/4885ALDH1A1 1236/4885MEN1 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.