SCHEMBL5872892

SCHEMBL5872892

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCN(c3nc4ccccc4nc3C)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 5/20 0.41
MAP2K1 Q02750 5/20 0.41
GPR6 P46095 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GBA1 P04062 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CYP1A2 P05177 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
SCHEMBL5872787 0.88 MAP2K1 (0.42) MAP2K2MAP2K1IDO1MEN1KMT2A
SCHEMBL5872944 0.86 MAP2K1 (0.43) MAP2K2MAP2K1IDO1MEN1KMT2A
SCHEMBL5872805 0.85 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5872819 0.85 LMNA (0.48) SMN1; SMN2ALDH1A1TSHRHTTMEN1
SCHEMBL5872837 0.85 HCAR2 (0.49) MAP2K2MAP2K1SMN1; SMN2TSHRHTT
SCHEMBL5872955 0.83 MAP2K1 (0.42) MAP2K2MAP2K1ALDH1A1IDO1MEN1
SCHEMBL5872839 0.83 MAP2K1 (0.42) MAP2K2MAP2K1IDO1MEN1KMT2A
SCHEMBL5872799 0.82 MAP2K1 (0.49) MAP2K2MAP2K1IDO1MEN1KMT2A
SCHEMBL5872899 0.81 NPSR1 (0.39) MAP2K2MAP2K1GPR6ALDH1A1TSHR
SCHEMBL5872945 0.81 MAP2K1 (0.43) MAP2K2MAP2K1IDO1MEN1KMT2A

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 MAP2K2 61/4885MAP2K1 71/4885GPR6 124/4885

“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.