SCHEMBL600618

SCHEMBL600618

COc1ccc(Nc2nc(Nc3cc(-n4cnnn4)ccc3F)ncc2F)c(NS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.50
GSK3A P49840 1/20 0.50
MAPK15 Q8TD08 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
GLO1 Q04760 3/20 0.47
ALK Q9UM73 4/20 0.42
PTK2 Q05397 1/20 0.41
EGFR P00533 7/20 0.41
SYK P43405 2/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL602395 0.94 EGFR (0.48) LRRK2ALKEGFR
SCHEMBL602257 0.88 GLO1 (0.58) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL1460883 0.85 EGFR (0.49) LRRK2ALKEGFR
SCHEMBL601762 0.83 GLO1 (0.47) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL604068 0.82 GLO1 (0.50) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL601394 0.82 GLO1 (0.54) LRRK2GLO1ALKEGFR
SCHEMBL601788 0.81 GLO1 (0.45) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL601368 0.81 GLO1 (0.49) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL1707715 0.80 PTK2 (0.58) LRRK2GSK3AMAPK15CAMKK2GLO1
SCHEMBL1706914 0.78 PTK2 (0.58) LRRK2GSK3AMAPK15CAMKK2GLO1

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 9 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 claimed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US claimed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO 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 LRRK2 1485/4885GSK3A 744/4885MAPK15 511/4885

“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.