SCHEMBL5872796

SCHEMBL5872796

Cc1cc(I)ccc1Nc1c(C(=O)NC2CCN(C)CC2)cc(C(=O)O)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAP2K1 Q02750 8/20 0.42
MAP2K2 P36507 4/20 0.42
IDO1 P14902 3/20 0.40
MAPK1 P28482 1/20 0.38
AURKA O14965 2/20 0.37
TNFRSF1A P19438 2/20 0.37
KDR P35968 1/20 0.37
MAP3K9 P80192 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 1/20 0.36
BRD4 O60885 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
BRDT Q58F21 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
SCHEMBL5872795 0.96 KMT2A (0.49) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872910 0.89 MEN1 (0.52) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872908 0.85 MEN1 (0.50) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872850 0.81 MAP2K1 (0.56) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872794 0.81 MEN1 (0.51) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872876 0.81 MEN1 (0.51) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872861 0.81 MEN1 (0.53) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872928 0.81 MEN1 (0.49) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5872799 0.81 MAP2K1 (0.49) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5873146 0.80 MEN1 (0.44) KMT2AMEN1TDP1MAP2K1MAP2K2

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.