SCHEMBL5485313

SCHEMBL5485313

Nc1nnc(-c2ccncc2Nc2ccc(I)cc2Cl)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 5/20 0.38
NOTUM Q6P988 2/20 0.36
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAP2K1 Q02750 1/20 0.33
SRC P12931 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DAPK3 O43293 1/20 0.31
PIM1 P11309 2/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
ATAD2 Q6PL18 1/20 0.31
IDO1 P14902 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
FLT1 P17948 1/20 0.30

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
SCHEMBL5474869 0.86 KMT2A (0.40) TDO2NOTUMKDM4ESRCNPC1
SCHEMBL3883718 0.86 MAP2K1 (0.42) MAP2K1IDO1
SCHEMBL5477797 0.86 IDO1 (0.40) TDO2NOTUMKDM4EMAP2K1GSK3A
SCHEMBL5486375 0.76 DGAT1 (0.41) TDO2NOTUMKDM4ENPC1RAB9A
SCHEMBL5474880 0.74 DGAT1 (0.40) TDO2KDM4EMAP2K1IDO1KDR
SCHEMBL6137713 0.73 CA2 (0.39) NOTUMADRA2AADRA2BMAP2K1
SCHEMBL5481054 0.72 MAP2K1 (0.42) MAP2K1IDO1
SCHEMBL5474208 0.72 KDM4E (0.43) KDM4EGSK3BNPC1RAB9APIM1
SCHEMBL5477603 0.70 MAP2K1 (0.41) MAP2K1IDO1FLT1KDR
SCHEMBL6138004 0.70 MAP2K1 (0.41) TDO2NOTUMMAP2K1SRC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 TDO2 3056/4885NOTUM 3441/4885ADRA2A 3418/4885

“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.