SCHEMBL602346

SCHEMBL602346

CNC(=O)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c1F

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.64
PTK2 Q05397 8/20 0.63
ALK Q9UM73 5/20 0.56
MET P08581 2/20 0.56
MAPK3 P27361 1/20 0.54
GLO1 Q04760 1/20 0.53
ROS1 P08922 1/20 0.53
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
INSR P06213 1/20 0.51
IGF1R P08069 1/20 0.51
PTK2B Q14289 1/20 0.51
PKMYT1 Q99640 1/20 0.51
SLC2A1 P11166 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
SCHEMBL603073 0.90 ALK (0.58) ULK1PTK2ALKMETMAPK3
SCHEMBL603144 0.87 MAPK3 (0.64) ULK1PTK2ALKMETMAPK3
SCHEMBL624680 0.84 ALK (0.55) PTK2ALKMETMAPK3GLO1
SCHEMBL602432 0.84 ALK (0.54) PTK2ALKMETMAPK3GLO1
SCHEMBL626247 0.83 GLO1 (0.56) ULK1PTK2ALKMETMAPK3
SCHEMBL13084445 0.83 ALK (0.58) ALKMETGLO1ROS1
SCHEMBL1460910 0.82 ULK1 (0.59) ULK1PTK2ALKMETMAPK3
SCHEMBL10074552 0.81 GLO1 (0.55) ALKMETGLO1ROS1
SCHEMBL601809 0.79 ALK (0.56) ALKMETMAPK3GLO1ROS1
SCHEMBL600494 0.79 ALK (0.56) ALKMETMAPK3GLO1ROS1

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 6 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
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

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 ULK1 2410/4885PTK2 492/4885ALK 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.