SCHEMBL601464

SCHEMBL601464

COc1ccc(Nc2nc(Cl)ncc2F)c(NS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.50
PTK2 Q05397 1/20 0.46
GSK3A P49840 1/20 0.45
LRRK2 Q5S007 1/20 0.45
MAPK15 Q8TD08 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
PIK3CG P48736 4/20 0.44
SYK P43405 2/20 0.42
AURKA O14965 1/20 0.42
EGFR P00533 2/20 0.40
MET P08581 1/20 0.40
SGK1 O00141 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
ROS1 P08922 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL31664180 0.89 EGFR (0.48) PTK2LRRK2PIK3CGEGFRMET
SCHEMBL602789 0.89 EGFR (0.48) PTK2LRRK2PIK3CGEGFRMET
SCHEMBL1707277 0.87 ZAP70 (0.46) PTK2PIK3CGEGFRPTGS1PTGS2
SCHEMBL26906847 0.84 EGFR (0.48) PTK2LRRK2PIK3CGEGFRMET
SCHEMBL30659886 0.84 EGFR (0.48) PTK2LRRK2PIK3CGEGFRMET
SCHEMBL1707715 0.83 PTK2 (0.58) GLO1PTK2GSK3ALRRK2MAPK15
SCHEMBL30942603 0.82 GLO1 (0.69) GLO1PTK2GSK3ALRRK2MAPK15
SCHEMBL542074 0.82 GLO1 (0.69) GLO1PTK2GSK3ALRRK2MAPK15
SCHEMBL1706914 0.81 PTK2 (0.58) GLO1PTK2GSK3ALRRK2MAPK15
SCHEMBL4823621 0.81 GAA (0.58) PTK2SYKAURKAALK

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 EP disclosed
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-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO 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 (3 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-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 GLO1 4299/4885PTK2 1584/4885GSK3A 1621/4885
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 GLO1 3765/4885PTK2 492/4885GSK3A 744/4885
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 GLO1 4285/4885PTK2 657/4885GSK3A 556/4885

“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.