SCHEMBL2121007

SCHEMBL2121007

CCNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)nn1C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.56
MET P08581 1/20 0.56
EGFR P00533 9/20 0.51
ROS1 P08922 4/20 0.49
FLT3 P36888 1/20 0.48
LRRK2 Q5S007 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
SCHEMBL2121811 0.92 ALK (0.66) ALKMETEGFRROS1FLT3
SCHEMBL10006195 0.91 ALK (0.55) ALKMETEGFRROS1LRRK2
SCHEMBL10006183 0.89 ALK (0.56) ALKMETEGFRROS1LRRK2
SCHEMBL2126044 0.83 EGFR (0.56) ALKMETEGFRROS1FLT3
SCHEMBL600957 0.80 PTK2 (0.55) ALKMETEGFRROS1LRRK2
SCHEMBL600486 0.80 MAPK3 (0.57) ALKMETEGFRROS1LRRK2
SCHEMBL10083888 0.80 ALK (0.55) ALKMETEGFRROS1LRRK2
SCHEMBL2125821 0.80 ALK (0.56) ALKMETEGFRROS1FLT3
SCHEMBL10292068 0.79 MAPK3 (0.61) ALKMETEGFRLRRK2
SCHEMBL2123441 0.78 ALK (0.55) ALKMETEGFRROS1FLT3

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.