SCHEMBL604068

SCHEMBL604068

COc1ccc(Nc2nc(Nc3cc(C(N)=O)ccc3F)ncc2F)c(NS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.50
LRRK2 Q5S007 2/20 0.47
MAPK3 P27361 1/20 0.47
GSK3A P49840 1/20 0.47
MAPK15 Q8TD08 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
PTK2 Q05397 5/20 0.46
SYK P43405 3/20 0.46
AURKA O14965 6/20 0.44
JAK2 O60674 2/20 0.44
AURKB Q96GD4 2/20 0.44

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
SCHEMBL601579 0.87 GLO1 (0.63) GLO1LRRK2MAPK3GSK3AMAPK15
SCHEMBL1707715 0.83 PTK2 (0.58) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL600618 0.82 LRRK2 (0.50) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL1706914 0.82 PTK2 (0.58) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL1035767 0.80 GLO1 (0.60) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL602400 0.79 ALK (0.58) GLO1LRRK2MAPK3AURKAJAK2
SCHEMBL9911245 0.79 GSK3A (0.53) GLO1LRRK2MAPK3GSK3AMAPK15
SCHEMBL625786 0.79 GLO1 (0.62) GLO1LRRK2MAPK3GSK3AMAPK15
SCHEMBL602882 0.79 GLO1 (0.64) GLO1LRRK2MAPK3GSK3AMAPK15
SCHEMBL1707362 0.79 EGFR (0.50) GLO1LRRK2MAPK3

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 7 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
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 3765/4885LRRK2 1485/4885MAPK3 19/4885

“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.