SCHEMBL5872999

SCHEMBL5872999

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCN(CCNCc3ccccn3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 2/20 0.38
MAP2K2 P36507 5/20 0.38
MAP2K1 Q02750 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
AURKA O14965 1/20 0.36
TNFRSF1A P19438 1/20 0.36
KDR P35968 1/20 0.36
MAP3K9 P80192 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5872740 0.82 MAP2K1 (0.46) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL5872805 0.82 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL5872906 0.82 MEN1 (0.47) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL5872758 0.81 MAP2K1 (0.47) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL5872859 0.80 MAP2K1 (0.43) ALDH1A1ALOX15L3MBTL1MAP2K2MAP2K1
SCHEMBL5872799 0.80 MAP2K1 (0.49) L3MBTL1MAP2K2MAP2K1MEN1KMT2A
SCHEMBL5872813 0.80 MAP2K1 (0.43) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL5872918 0.79 MAP2K1 (0.44) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL5873126 0.78 MEN1 (0.42) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL5872782 0.78 MAP2K1 (0.44) 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 ALDH1A1 1236/4885TSHR 1569/4885ALOX15 1849/4885

“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.