SCHEMBL10074545

SCHEMBL10074545

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cc(C(=O)N3CCC3)ccc2F)ncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.55
EGFR P00533 10/20 0.54
LRRK2 Q5S007 4/20 0.53
GLO1 Q04760 1/20 0.52
MET P08581 1/20 0.51
ROS1 P08922 1/20 0.51

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
SCHEMBL600716 0.97 ALK (0.54) ALKEGFRLRRK2GLO1MET
SCHEMBL600918 0.93 ALK (0.63) ALKEGFRLRRK2
SCHEMBL602387 0.90 LRRK2 (0.52) ALKEGFRLRRK2ROS1
SCHEMBL13084448 0.87 GLO1 (0.58) ALKEGFRLRRK2GLO1MET
SCHEMBL10074537 0.87 MAPK3 (0.58) ALKEGFRLRRK2GLO1MET
SCHEMBL1460443 0.86 LRRK2 (0.63) ALKEGFRLRRK2
SCHEMBL602400 0.86 ALK (0.58) ALKEGFRLRRK2GLO1MET
SCHEMBL626247 0.85 GLO1 (0.56) ALKEGFRLRRK2GLO1MET
SCHEMBL600331 0.85 GLO1 (0.54) ALKEGFRLRRK2GLO1MET
SCHEMBL10084072 0.84 PTK2 (0.63) ALKEGFRLRRK2GLO1MET

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 3 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 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

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 1095/4885EGFR 582/4885LRRK2 1485/4885

“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.