SCHEMBL603138

SCHEMBL603138

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cc(C(=O)NC3CC3)ccc2F)ncc1F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.58
AURKA O14965 4/20 0.53
AURKB Q96GD4 3/20 0.53
PTK2 Q05397 5/20 0.53
LRRK2 Q5S007 2/20 0.52
GSK3A P49840 1/20 0.52
MAPK15 Q8TD08 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
EGFR P00533 2/20 0.49
BRD4 O60885 1/20 0.49
BRAF P15056 1/20 0.47

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
SCHEMBL10084072 0.92 PTK2 (0.63) GLO1PTK2LRRK2EGFR
SCHEMBL10291751 0.91 LRRK2 (0.58) GLO1AURKAAURKBPTK2LRRK2
SCHEMBL625786 0.89 GLO1 (0.62) GLO1AURKAAURKBPTK2LRRK2
SCHEMBL602882 0.89 GLO1 (0.64) GLO1AURKAAURKBLRRK2GSK3A
SCHEMBL1038420 0.89 GLO1 (0.59) GLO1AURKAAURKBPTK2LRRK2
SCHEMBL602416 0.86 GLO1 (0.59) GLO1AURKAAURKBLRRK2GSK3A
SCHEMBL10084456 0.86 GLO1 (0.59) GLO1AURKAAURKBLRRK2GSK3A
SCHEMBL601579 0.86 GLO1 (0.63) GLO1AURKAAURKBPTK2LRRK2
SCHEMBL603777 0.85 PTK2 (0.60) AURKAAURKBPTK2LRRK2EGFR
SCHEMBL600945 0.84 BRAF (0.57) GLO1PTK2LRRK2GSK3AMAPK15

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
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US claimed
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
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 GLO1 3765/4885AURKA 792/4885AURKB 871/4885

“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.