SCHEMBL603145

SCHEMBL603145

Cc1cccc(Nc2nc(Cl)ncc2F)c1NS(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 5/20 0.52
AURKA O14965 6/20 0.41
AURKB Q96GD4 3/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PIN1 Q13526 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GSK3A P49840 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MAPK15 Q8TD08 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
PTK2 Q05397 1/20 0.37
JAK2 O60674 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL601598 0.91 GLO1 (0.54) GLO1AURKAAURKBPIN1GSK3A
SCHEMBL634522 0.88 ALK (0.44) GLO1KEAP1NFE2L2PIN1PTGS1
SCHEMBL31147617 0.88 ALK (0.44) GLO1KEAP1NFE2L2PIN1PTGS1
SCHEMBL30942603 0.84 GLO1 (0.69) GLO1AURKAAURKBPIN1PTGS1
SCHEMBL542074 0.84 GLO1 (0.69) GLO1AURKAAURKBPIN1PTGS1
SCHEMBL1221669 0.81 AURKA (0.43) GLO1AURKAAURKBJAK2
SCHEMBL29190615 0.81 GLO1 (0.43) GLO1AURKAAURKBPIN1ALOX15
SCHEMBL27076103 0.79 GLO1 (0.44) GLO1AURKAAURKBPIN1GSK3A
SCHEMBL30942662 0.78 ALK (0.46) GLO1PIN1PTGS1PTGS2LRRK2
SCHEMBL1222419 0.78 EGFR (0.46) GLO1AURKAAURKBLRRK2JAK2

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 12 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
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 US disclosed
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 US disclosed
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 US disclosed
EP-2276747-A1 SULFONAMIDES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2011-01-26 EP 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
WO-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 WO disclosed
WO-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 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 (2 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
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS ZAP70, SYK, LCK GLO1 3741/4885AURKA 2189/4885AURKB 2945/4885

“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.