SCHEMBL4139540

SCHEMBL4139540

CC(C)(C)c1cc(N(C(=O)O)c2ccccc2)n(-c2cccc(OCCOC3CCCCO3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
MAPK14 Q16539 12/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK13 O15264 2/20 0.37
MAPK9 P45984 2/20 0.37
CDK8 P49336 1/20 0.37
GAA P10253 1/20 0.36
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4250862 0.83 MAPK14 (0.49) MAPK14MAPK12MAPK11MAPK13MAPK9
SCHEMBL4505212 0.82 MAPK14 (0.48) MAPK14MAPK12MAPK11MAPK13MAPK9
SCHEMBL4076105 0.81 KDM4C (0.41) MEN1KMT2AKDM4CMAPK14MAPK12
SCHEMBL16398841 0.78 GAA (0.44) MAPK14MAPK12MAPK11MAPK13MAPK9
SCHEMBL13678564 0.78 KDM4C (0.38) MEN1KMT2AKDM4CMAPK14MAPK12
SCHEMBL4071373 0.77 MAPK14 (0.41) MEN1KMT2AKDM4CMAPK14MAPK12
SCHEMBL15006786 0.77 GAA (0.42) MEN1KMT2AMAPK14MAPK12MAPK11
SCHEMBL4146349 0.76 MAPK14 (0.44) MAPK14MAPK12MAPK11MAPK13MAPK9
SCHEMBL4078729 0.75 KDM4C (0.39) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4076188 0.74 KDM4C (0.42) MEN1KMT2AKDM4CMAPK14MAPK12

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-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 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-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MEN1 4865/4885KMT2A 4285/4885KDM4C 4773/4885

“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.