SCHEMBL2126996

SCHEMBL2126996

Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)nn1CC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.53
MET P08581 2/20 0.53
EGFR P00533 10/20 0.50
LRRK2 Q5S007 1/20 0.49
GLO1 Q04760 1/20 0.49
ROS1 P08922 3/20 0.48
FLT3 P36888 2/20 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
SCHEMBL2126635 0.90 GLO1 (0.57) ALKMETEGFRLRRK2GLO1
SCHEMBL2125821 0.89 ALK (0.56) ALKMETEGFRLRRK2GLO1
SCHEMBL2126044 0.85 EGFR (0.56) ALKMETEGFRLRRK2GLO1
SCHEMBL2125052 0.79 ALK (0.57) ALKMETEGFRLRRK2ROS1
SCHEMBL2126982 0.79 ALK (0.46) ALKMETEGFRLRRK2GLO1
SCHEMBL2123441 0.78 ALK (0.55) ALKMETEGFRLRRK2GLO1
SCHEMBL2124509 0.77 ALK (0.54) ALKMETEGFRLRRK2GLO1
SCHEMBL1038689 0.76 GLO1 (0.58) ALKMETEGFRLRRK2GLO1
SCHEMBL10006183 0.76 ALK (0.56) ALKMETEGFRLRRK2ROS1
SCHEMBL2123465 0.76 ALK (0.52) ALKMETEGFRLRRK2GLO1

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
US-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US claimed
EP-2443106-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS Cellzome Limited (GB) 2012-04-25 EP claimed
WO-2010146133-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-12-23 WO claimed
US-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 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-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS ZAP70, JAK3, JAK2 ALK 233/4885MET 2363/4885EGFR 785/4885

“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.