SCHEMBL2122169

SCHEMBL2122169

CCS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccn(C)n2)ncc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.51
LRRK2 Q5S007 2/20 0.46
GSK3A P49840 2/20 0.42
MAPK15 Q8TD08 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
AURKA O14965 9/20 0.42
AURKB Q96GD4 3/20 0.42
PSIP1 O75475 1/20 0.41
MAPK8 P45983 3/20 0.41
CDC7 O00311 1/20 0.41
ALK Q9UM73 1/20 0.41
FLT3 P36888 3/20 0.40
BTK Q06187 3/20 0.40
JAK2 O60674 2/20 0.39
PLK4 O00444 1/20 0.39
PDPK1 O15530 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 1/20 0.39
INSR P06213 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
SCHEMBL2121997 0.90 GLO1 (0.63) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2141897 0.88 ALK (0.47) LRRK2GSK3AAURKAAURKBCDC7
SCHEMBL2122295 0.86 GLO1 (0.46) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2121349 0.85 GLO1 (0.50) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL2124535 0.82 GLO1 (0.56) GLO1GSK3AAURKBCDC7ALK
SCHEMBL2141375 0.78 ALK (0.52) GLO1LRRK2GSK3AMAPK8CDC7
SCHEMBL2123441 0.78 ALK (0.55) GLO1LRRK2ALKFLT3ROS1
SCHEMBL2124283 0.76 GLO1 (0.52) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL10074538 0.76 GLO1 (0.55) GLO1LRRK2GSK3AMAPK15CAMKK2
SCHEMBL656107 0.74 GLO1 (0.78) 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 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 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.