SCHEMBL600630

SCHEMBL600630

CS(=O)(=O)Nc1cc(F)c(F)cc1Nc1nc(Nc2cc(C(=O)O)ccc2F)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.50
LRRK2 Q5S007 2/20 0.49
GLO1 Q04760 2/20 0.47
ALK Q9UM73 3/20 0.47
MET P08581 1/20 0.47
AURKA O14965 4/20 0.46
PTK2 Q05397 3/20 0.46
JAK2 O60674 1/20 0.46
AURKB Q96GD4 1/20 0.46
EGFR P00533 4/20 0.43

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
SCHEMBL601475 0.91 PTK2 (0.49) MAPK3LRRK2GLO1ALKMET
SCHEMBL10074537 0.91 MAPK3 (0.58) MAPK3LRRK2GLO1ALKMET
SCHEMBL600321 0.86 MAPK3 (0.54) MAPK3LRRK2GLO1ALKMET
SCHEMBL626247 0.84 GLO1 (0.56) MAPK3LRRK2GLO1ALKMET
SCHEMBL603608 0.84 PTK2 (0.57) MAPK3LRRK2GLO1ALKMET
SCHEMBL13084448 0.84 GLO1 (0.58) MAPK3LRRK2GLO1ALKMET
SCHEMBL10084072 0.83 PTK2 (0.63) LRRK2GLO1ALKMETPTK2
SCHEMBL602400 0.83 ALK (0.58) MAPK3LRRK2GLO1ALKMET
SCHEMBL602882 0.82 GLO1 (0.64) MAPK3LRRK2GLO1ALKAURKA
SCHEMBL601520 0.82 MAPK3 (0.56) MAPK3LRRK2GLO1ALKMET

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 MAPK3 19/4885LRRK2 1485/4885GLO1 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.