SCHEMBL2124283

SCHEMBL2124283

COc1ccc(Nc2nc(Nc3ccn(C)n3)ncc2F)c(NS(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.52
LRRK2 Q5S007 2/20 0.49
GSK3A P49840 1/20 0.49
MAPK15 Q8TD08 1/20 0.49
CAMKK2 Q96RR4 1/20 0.49
SYK P43405 3/20 0.44
AURKA O14965 3/20 0.44
PTK2 Q05397 1/20 0.43
EGFR P00533 4/20 0.41
IGF1R P08069 1/20 0.40
ALK Q9UM73 3/20 0.40
ROS1 P08922 1/20 0.39

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
SCHEMBL2124866 0.89 EGFR (0.52) LRRK2EGFRALKROS1
SCHEMBL2122546 0.89 GLO1 (0.49) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2122530 0.87 GLO1 (0.52) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2121997 0.86 GLO1 (0.63) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2123458 0.85 GLO1 (0.51) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2122745 0.84 GLO1 (0.56) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL1707715 0.83 PTK2 (0.58) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2121975 0.83 GLO1 (0.52) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL1706914 0.81 PTK2 (0.58) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2123258 0.80 GLO1 (0.58) GLO1LRRK2GSK3AMAPK15CAMKK2

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 GLO1 3371/4885LRRK2 1177/4885GSK3A 694/4885

“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.