SCHEMBL600331

SCHEMBL600331

CC(C)NC(=O)c1ccc(F)c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.54
LRRK2 Q5S007 2/20 0.53
ALK Q9UM73 5/20 0.53
MET P08581 2/20 0.53
ROS1 P08922 2/20 0.51
EGFR P00533 11/20 0.50
MAPK3 P27361 1/20 0.49

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
SCHEMBL10084456 0.92 GLO1 (0.59) GLO1LRRK2ALKMETEGFR
SCHEMBL626247 0.90 GLO1 (0.56) GLO1LRRK2ALKMETROS1
SCHEMBL1460878 0.89 MAPK3 (0.62) LRRK2ALKMETEGFRMAPK3
SCHEMBL10074537 0.88 MAPK3 (0.58) GLO1LRRK2ALKMETROS1
SCHEMBL13084448 0.88 GLO1 (0.58) GLO1LRRK2ALKMETROS1
SCHEMBL602753 0.88 ALK (0.53) GLO1LRRK2ALKMETROS1
SCHEMBL10083888 0.88 ALK (0.55) GLO1LRRK2ALKMETROS1
SCHEMBL602400 0.88 ALK (0.58) GLO1LRRK2ALKMETROS1
SCHEMBL604081 0.87 ALK (0.55) GLO1LRRK2ALKMETROS1
SCHEMBL10084072 0.87 PTK2 (0.63) GLO1LRRK2ALKMETEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419423-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS Cellzome Limited (GB) 2012-02-22 EP claimed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US claimed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO claimed
EP-2419423-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS Cellzome Limited (GB) 2012-02-22 EP disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 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-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 GLO1 3765/4885LRRK2 1485/4885ALK 1095/4885

“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.