SCHEMBL603072

SCHEMBL603072

CCN(CC)C(=O)c1ccc(F)c(Nc2ncc(Cl)c(Nc3ccccc3NS(=O)(=O)CC)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.49
MET P08581 1/20 0.46
MAPK3 P27361 10/20 0.46
GLO1 Q04760 1/20 0.44
PTK2 Q05397 2/20 0.43
LRRK2 Q5S007 1/20 0.43
ROS1 P08922 1/20 0.42
ULK1 O75385 1/20 0.42

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
SCHEMBL603615 0.93 ALK (0.54) ALKMETMAPK3GLO1LRRK2
SCHEMBL601520 0.90 MAPK3 (0.56) ALKMETMAPK3GLO1PTK2
SCHEMBL601332 0.88 ULK1 (0.52) ALKMETMAPK3GLO1PTK2
SCHEMBL600188 0.87 ALK (0.47) ALKMETMAPK3GLO1PTK2
SCHEMBL600867 0.86 ALK (0.53) ALKMETMAPK3GLO1LRRK2
SCHEMBL603777 0.84 PTK2 (0.60) PTK2LRRK2
SCHEMBL602387 0.84 LRRK2 (0.52) ALKPTK2LRRK2ROS1
SCHEMBL13084485 0.83 GLO1 (0.49) ALKMETMAPK3GLO1LRRK2
SCHEMBL1459629 0.82 EGFR (0.56) ALKMETMAPK3LRRK2ROS1
SCHEMBL602306 0.81 MAPK9 (0.47) ALKMETMAPK3GLO1LRRK2

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 ALK 1095/4885MET 3143/4885MAPK3 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.