SCHEMBL600945

SCHEMBL600945

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cc(C(=O)N[C@@H]3CCOC3)ccc2F)ncc1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.57
PTK2 Q05397 6/20 0.54
EGFR P00533 9/20 0.52
LRRK2 Q5S007 2/20 0.52
ROS1 P08922 2/20 0.48
ALK Q9UM73 2/20 0.48
MET P08581 1/20 0.48
GLO1 Q04760 1/20 0.48
GSK3A P49840 1/20 0.48
MAPK15 Q8TD08 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48

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
SCHEMBL600946 1.00 BRAF (0.57) BRAFPTK2EGFRLRRK2ROS1
SCHEMBL10084072 0.91 PTK2 (0.63) PTK2EGFRLRRK2ALKMET
SCHEMBL626247 0.85 GLO1 (0.56) PTK2EGFRLRRK2ROS1ALK
SCHEMBL10074537 0.84 MAPK3 (0.58) EGFRLRRK2ROS1ALKMET
SCHEMBL603777 0.84 PTK2 (0.60) PTK2EGFRLRRK2
SCHEMBL603138 0.84 GLO1 (0.58) BRAFPTK2EGFRLRRK2GLO1
SCHEMBL13084448 0.83 GLO1 (0.58) EGFRLRRK2ROS1ALKMET
SCHEMBL10083888 0.82 ALK (0.55) PTK2EGFRLRRK2ROS1ALK
SCHEMBL600331 0.82 GLO1 (0.54) EGFRLRRK2ROS1ALKMET
SCHEMBL600918 0.82 ALK (0.63) PTK2EGFRLRRK2ALKGSK3A

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 4 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
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US 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 BRAF 111/4885PTK2 492/4885EGFR 582/4885

“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.