SCHEMBL5873050

SCHEMBL5873050

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
TNFRSF1A P19438 1/20 0.45
KDR P35968 1/20 0.45
MAP3K9 P80192 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA9 Q16790 4/20 0.43
SOS1 Q07889 1/20 0.43
CA12 O43570 3/20 0.42
MAP2K1 Q02750 2/20 0.42
MAP2K2 P36507 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR27 Q9NS67 1/20 0.42
MT-CO2 P00403 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL5873051 0.96 KMT2A (0.47) AURKATNFRSF1AKDRMAP3K9KMT2A
SCHEMBL5872850 0.81 MAP2K1 (0.56) AURKATNFRSF1AKDRMAP3K9KMT2A
SCHEMBL5872858 0.81 MAP2K1 (0.51) AURKATNFRSF1AKDRMAP3K9KMT2A
SCHEMBL5872778 0.80 KCNQ3 (0.46) KMT2AMEN1TDP1MAP2K1MAP2K2
SCHEMBL5873017 0.80 MAPT (0.47) KMT2AMEN1TDP1ALDH1A1
SCHEMBL5872894 0.80 NPC1 (0.49) KMT2AMEN1TDP1ALDH1A1
SCHEMBL5873057 0.79 SORT1 (0.47) KDRKMT2AMEN1TDP1MAP2K1
SCHEMBL24849049 0.79 MAP2K1 (0.56) AURKATNFRSF1AKDRMAP3K9KMT2A
SCHEMBL5872912 0.78 NPC1 (0.49) KDRKMT2AMEN1TDP1ALDH1A1
SCHEMBL5872780 0.77 KCNQ3 (0.46) 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 AURKA 2531/4885TNFRSF1A 2475/4885KDR 1197/4885

“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.