SCHEMBL2123757

SCHEMBL2123757

COc1ccc(Nc2nc(Nc3cc(C)nn3C(C)C)ncc2Cl)c(NS(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.58
EGFR P00533 12/20 0.47
LRRK2 Q5S007 1/20 0.47
ROS1 P08922 6/20 0.46
ALK Q9UM73 6/20 0.46
MET P08581 1/20 0.45

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
SCHEMBL2126649 0.92 PTK2 (0.49) PTK2EGFRLRRK2ROS1ALK
SCHEMBL2874807 0.90 EGFR (0.48) PTK2EGFRLRRK2ROS1ALK
SCHEMBL2122465 0.89 EGFR (0.51) EGFRLRRK2ROS1ALKMET
SCHEMBL2126176 0.88 EGFR (0.46) PTK2EGFRLRRK2ROS1ALK
SCHEMBL2125435 0.87 EGFR (0.49) EGFRLRRK2ROS1ALKMET
SCHEMBL2124409 0.86 EGFR (0.47) EGFRLRRK2ROS1ALKMET
SCHEMBL2127634 0.85 EGFR (0.48) EGFRLRRK2ROS1ALKMET
SCHEMBL2128831 0.84 EGFR (0.52) PTK2EGFRLRRK2ROS1ALK
SCHEMBL2141553 0.84 EGFR (0.48) EGFRLRRK2ROS1ALK
SCHEMBL2121158 0.84 EGFR (0.50) EGFRLRRK2ROS1ALKMET

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 PTK2 168/4885EGFR 785/4885LRRK2 1177/4885

“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.