SCHEMBL2122602

SCHEMBL2122602

CCCn1ccc(Nc2ncc(Cl)c(Nc3cccc(F)c3NS(C)(=O)=O)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.42
MET P08581 1/20 0.42
GLO1 Q04760 1/20 0.42
ROS1 P08922 6/20 0.41
EGFR P00533 5/20 0.41
FLT3 P36888 1/20 0.39
PTK2 Q05397 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL2128811 0.93 GLO1 (0.44) ALKMETGLO1ROS1EGFR
SCHEMBL2143511 0.89 GLO1 (0.46) ALKMETGLO1ROS1EGFR
SCHEMBL2123465 0.88 ALK (0.52) ALKMETGLO1ROS1EGFR
SCHEMBL2126982 0.83 ALK (0.46) ALKMETGLO1EGFRFLT3
SCHEMBL2126616 0.82 GLO1 (0.45) ALKMETGLO1ROS1EGFR
SCHEMBL2124509 0.80 ALK (0.54) ALKMETGLO1ROS1EGFR
SCHEMBL2124144 0.78 JAK2 (0.58) ALKMETGLO1FLT3
SCHEMBL2122486 0.76 JAK2 (0.53) ALKMETGLO1FLT3PTK2
SCHEMBL2123441 0.75 ALK (0.55) ALKMETGLO1ROS1EGFR
SCHEMBL1460877 0.73 ALK (0.45) ALKMETGLO1ROS1EGFR

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-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
EP-2443106-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS Cellzome Limited (GB) 2012-04-25 EP disclosed
WO-2010146133-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-12-23 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-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS ZAP70, JAK3, JAK2 ALK 233/4885MET 2363/4885GLO1 3371/4885

“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.