SCHEMBL600486

SCHEMBL600486

CCNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 4/20 0.57
ALK Q9UM73 6/20 0.55
MET P08581 2/20 0.55
GLO1 Q04760 1/20 0.52
EGFR P00533 7/20 0.48
PTK2 Q05397 1/20 0.48
ROS1 P08922 1/20 0.47
LRRK2 Q5S007 1/20 0.47
ULK1 O75385 1/20 0.47

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
SCHEMBL603144 0.90 MAPK3 (0.64) MAPK3ALKMETGLO1EGFR
SCHEMBL601809 0.88 ALK (0.56) MAPK3ALKMETGLO1EGFR
SCHEMBL600957 0.88 PTK2 (0.55) MAPK3ALKMETGLO1EGFR
SCHEMBL602753 0.88 ALK (0.53) MAPK3ALKMETGLO1EGFR
SCHEMBL10083888 0.88 ALK (0.55) MAPK3ALKMETGLO1EGFR
SCHEMBL600974 0.87 EGFR (0.58) MAPK3ALKMETGLO1EGFR
SCHEMBL600494 0.85 ALK (0.56) MAPK3ALKMETGLO1EGFR
SCHEMBL602582 0.84 EGFR (0.58) ALKMETGLO1EGFRPTK2
SCHEMBL600188 0.81 ALK (0.47) MAPK3ALKMETGLO1PTK2
SCHEMBL603345 0.80 ALK (0.61) MAPK3ALKMETGLO1EGFR

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 MAPK3 19/4885ALK 1095/4885MET 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.