SCHEMBL6079396

SCHEMBL6079396

NC(=O)Nc1ccc(Cl)c(COc2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.61
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
SGMS2 Q8NHU3 3/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
P2RX4 Q99571 1/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
NOTUM Q6P988 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL6079266 0.86 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL6079115 0.85 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL6080369 0.85 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL6079377 0.85 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL6226761 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL6079812 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL18340067 0.81 SIRT2 (0.71) MAPK14RAB9ANPC1SIRT2SIRT1
SCHEMBL6079427 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL19579299 0.81 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11SGMS2
SCHEMBL6226764 0.80 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 MAPK14 20/4885MAPK13 16/4885MAPK12 22/4885

“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.