SCHEMBL602432

SCHEMBL602432

CC(C)NC(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.54
ROS1 P08922 5/20 0.54
MET P08581 2/20 0.51
PTK2 Q05397 1/20 0.51
EGFR P00533 9/20 0.51
MAPK3 P27361 1/20 0.50
LRRK2 Q5S007 1/20 0.50
GLO1 Q04760 1/20 0.50

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
SCHEMBL624680 0.88 ALK (0.55) ALKROS1METPTK2EGFR
SCHEMBL602753 0.87 ALK (0.53) ALKROS1METPTK2EGFR
SCHEMBL602346 0.84 ULK1 (0.64) ALKROS1METPTK2MAPK3
SCHEMBL600331 0.83 GLO1 (0.54) ALKROS1METEGFRMAPK3
SCHEMBL603073 0.82 ALK (0.58) ALKROS1METPTK2EGFR
SCHEMBL1460878 0.79 MAPK3 (0.62) ALKMETEGFRMAPK3LRRK2
SCHEMBL13084445 0.78 ALK (0.58) ALKROS1METEGFRLRRK2
SCHEMBL603144 0.77 MAPK3 (0.64) ALKMETPTK2EGFRMAPK3
SCHEMBL601809 0.76 ALK (0.56) ALKROS1METEGFRMAPK3
SCHEMBL603608 0.76 PTK2 (0.57) ALKROS1METPTK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US 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
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 ALK 1095/4885ROS1 79/4885MET 3143/4885

“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.