SCHEMBL601598

SCHEMBL601598

CS(=O)(=O)Nc1c(F)cccc1Nc1nc(Cl)ncc1F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 5/20 0.54
AURKA O14965 7/20 0.41
AURKB Q96GD4 4/20 0.41
PIN1 Q13526 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3A P49840 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MAPK15 Q8TD08 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
JAK2 O60674 2/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SYK P43405 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL603145 0.91 GLO1 (0.52) GLO1AURKAAURKBPIN1GSK3A
SCHEMBL29190615 0.90 GLO1 (0.43) GLO1AURKAAURKBPIN1KMT2A
SCHEMBL30942603 0.86 GLO1 (0.69) GLO1AURKAAURKBPIN1GSK3A
SCHEMBL542074 0.86 GLO1 (0.69) GLO1AURKAAURKBPIN1GSK3A
SCHEMBL27076103 0.81 GLO1 (0.44) GLO1AURKAAURKBPIN1KMT2A
SCHEMBL30942662 0.80 ALK (0.46) GLO1PIN1LRRK2MAPK10
SCHEMBL31147617 0.78 ALK (0.44) GLO1PIN1LRRK2
SCHEMBL634522 0.78 ALK (0.44) GLO1PIN1LRRK2
SCHEMBL10074538 0.77 GLO1 (0.55) GLO1AURKAAURKBGSK3ALRRK2
SCHEMBL2124254 0.77 GLO1 (0.55) GLO1AURKBGSK3AJAK2SYK

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 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.