SCHEMBL603073

SCHEMBL603073

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cccc(C(=O)O)c2F)ncc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.58
MET P08581 2/20 0.58
GLO1 Q04760 2/20 0.55
AURKA O14965 1/20 0.54
PTK2 Q05397 2/20 0.53
ULK1 O75385 1/20 0.53
ROS1 P08922 3/20 0.52
EGFR P00533 6/20 0.51
MAPK3 P27361 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
LRRK2 Q5S007 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 0.93 ALK (0.55) ALKMETGLO1AURKAPTK2
SCHEMBL602346 0.90 ULK1 (0.64) ALKMETGLO1PTK2ULK1
SCHEMBL601809 0.87 ALK (0.56) ALKMETGLO1AURKAROS1
SCHEMBL600494 0.87 ALK (0.56) ALKMETGLO1AURKAROS1
SCHEMBL13084445 0.85 ALK (0.58) ALKMETGLO1ROS1EGFR
SCHEMBL10074537 0.83 MAPK3 (0.58) ALKMETGLO1AURKAROS1
SCHEMBL603608 0.83 PTK2 (0.57) ALKMETGLO1AURKAPTK2
SCHEMBL10074552 0.82 GLO1 (0.55) ALKMETGLO1ROS1EGFR
SCHEMBL602432 0.82 ALK (0.54) ALKMETGLO1PTK2ROS1
SCHEMBL603144 0.79 MAPK3 (0.64) ALKMETGLO1PTK2ULK1

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 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 1095/4885MET 3143/4885GLO1 3765/4885

“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.