SCHEMBL5872893

SCHEMBL5872893

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCN(c3cccc(OCCO)c3)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ENPP2 Q13822 4/20 0.39
MAP2K2 P36507 5/20 0.39
MAP2K1 Q02750 5/20 0.39
CCKAR P32238 5/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL5872922 0.86 MAPT (0.41) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872798 0.83 AURKA (0.43) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872767 0.82 MAP2K2 (0.38) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872969 0.81 MAP2K1 (0.40) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872740 0.81 MAP2K1 (0.46) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872799 0.80 MAP2K1 (0.49) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872833 0.79 MEN1 (0.39) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872805 0.79 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPT
SCHEMBL5872758 0.79 MAP2K1 (0.47) KMT2AMEN1TDP1MAP2K2MAP2K1
SCHEMBL5872899 0.79 NPSR1 (0.39) KMT2AMEN1TDP1MAP2K2MAP2K1

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 636/4885MEN1 2841/4885TDP1 851/4885

“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.