SCHEMBL603345

SCHEMBL603345

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cc(C(=O)NCCO)ccc2F)ncc1Cl

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.61
MAPK3 P27361 5/20 0.56
MET P08581 1/20 0.54
GLO1 Q04760 2/20 0.53
EGFR P00533 7/20 0.52
ROS1 P08922 1/20 0.49
PTK2 Q05397 1/20 0.47

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
SCHEMBL10083888 0.92 ALK (0.55) ALKMAPK3METGLO1EGFR
SCHEMBL604081 0.92 ALK (0.55) ALKMAPK3METGLO1EGFR
SCHEMBL603382 0.90 MAPK3 (0.52) ALKMAPK3METGLO1EGFR
SCHEMBL10083854 0.90 ALK (0.53) ALKMAPK3METGLO1EGFR
SCHEMBL626247 0.90 GLO1 (0.56) ALKMAPK3METGLO1EGFR
SCHEMBL13084448 0.88 GLO1 (0.58) ALKMAPK3METGLO1EGFR
SCHEMBL10074537 0.88 MAPK3 (0.58) ALKMAPK3METGLO1EGFR
SCHEMBL600331 0.87 GLO1 (0.54) ALKMAPK3METGLO1EGFR
SCHEMBL602400 0.87 ALK (0.58) ALKMAPK3METGLO1EGFR
SCHEMBL10084072 0.86 PTK2 (0.63) ALKMETGLO1EGFRPTK2

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 6 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
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 1095/4885MAPK3 19/4885MET 3143/4885

“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.