SCHEMBL2126239

SCHEMBL2126239

COc1ccc(Nc2nc(Nc3cn(C)nc3C)ncc2Cl)c(NS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.53
ROS1 P08922 5/20 0.51
ALK Q9UM73 5/20 0.51
LRRK2 Q5S007 1/20 0.51
MET P08581 1/20 0.49

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
SCHEMBL2123458 0.89 GLO1 (0.51) EGFRROS1ALKLRRK2
SCHEMBL2123854 0.89 EGFR (0.49) EGFRROS1ALKLRRK2MET
SCHEMBL9912361 0.88 ROS1 (0.55) EGFRROS1ALKLRRK2MET
Hydrochloric Acid SCHEMBL1707360 0.87 ROS1 (0.55) EGFRROS1ALKLRRK2MET
SCHEMBL1706931 0.86 ROS1 (0.55) EGFRROS1ALKLRRK2MET
SCHEMBL2123576 0.86 EGFR (0.56) EGFRROS1ALKLRRK2MET
SCHEMBL2120971 0.86 EGFR (0.51) EGFRROS1ALKLRRK2MET
SCHEMBL1707902 0.85 EGFR (0.53) EGFRROS1ALKLRRK2MET
SCHEMBL2126780 0.85 EGFR (0.54) EGFRROS1ALKLRRK2MET
SCHEMBL2127002 0.85 EGFR (0.54) EGFRROS1ALKLRRK2MET

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 9 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
US-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
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
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 EGFR 785/4885ROS1 220/4885ALK 233/4885

“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.