SCHEMBL600494

SCHEMBL600494

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cc(F)c(C(=O)O)cc2F)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.56
MET P08581 2/20 0.56
GLO1 Q04760 2/20 0.56
EGFR P00533 10/20 0.53
LRRK2 Q5S007 1/20 0.53
MAPK3 P27361 2/20 0.51
ROS1 P08922 2/20 0.51
AURKA O14965 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
SCHEMBL601809 0.96 ALK (0.56) ALKMETGLO1EGFRLRRK2
SCHEMBL602582 0.88 EGFR (0.58) ALKMETGLO1EGFRLRRK2
SCHEMBL603144 0.87 MAPK3 (0.64) ALKMETGLO1EGFRMAPK3
SCHEMBL10074537 0.87 MAPK3 (0.58) ALKMETGLO1EGFRLRRK2
SCHEMBL603608 0.87 PTK2 (0.57) ALKMETGLO1EGFRLRRK2
SCHEMBL603073 0.87 ALK (0.58) ALKMETGLO1EGFRLRRK2
SCHEMBL624680 0.86 ALK (0.55) ALKMETGLO1EGFRLRRK2
SCHEMBL600486 0.85 MAPK3 (0.57) ALKMETGLO1EGFRLRRK2
SCHEMBL602753 0.85 ALK (0.53) ALKMETGLO1EGFRLRRK2
SCHEMBL600974 0.84 EGFR (0.58) ALKMETGLO1EGFRLRRK2

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.