SCHEMBL600321

SCHEMBL600321

Cc1cccc(Nc2nc(Nc3cc(C(=O)O)ccc3F)ncc2Cl)c1NS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 5/20 0.54
AURKA O14965 5/20 0.48
ALK Q9UM73 3/20 0.47
MET P08581 1/20 0.47
JAK2 O60674 1/20 0.46
AURKB Q96GD4 1/20 0.46
GLO1 Q04760 2/20 0.45
LRRK2 Q5S007 1/20 0.45
EGFR P00533 1/20 0.43
PTK2 Q05397 3/20 0.42

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
SCHEMBL10074537 0.88 MAPK3 (0.58) MAPK3AURKAALKMETJAK2
SCHEMBL603382 0.88 MAPK3 (0.52) MAPK3ALKMETGLO1LRRK2
SCHEMBL600630 0.86 MAPK3 (0.50) MAPK3AURKAALKMETJAK2
SCHEMBL601396 0.83 HPGD (0.42) MAPK3ALKMETGLO1LRRK2
SCHEMBL600999 0.82 ALK (0.47) MAPK3ALKMETGLO1LRRK2
SCHEMBL601520 0.81 MAPK3 (0.56) MAPK3AURKAALKMETJAK2
SCHEMBL603608 0.81 PTK2 (0.57) MAPK3AURKAALKMETJAK2
SCHEMBL13084448 0.81 GLO1 (0.58) MAPK3ALKMETGLO1LRRK2
SCHEMBL602400 0.80 ALK (0.58) MAPK3AURKAALKMETJAK2
SCHEMBL602882 0.80 GLO1 (0.64) MAPK3AURKAALKJAK2AURKB

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 19/4885AURKA 792/4885ALK 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.