SCHEMBL2124772

SCHEMBL2124772

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cnn(CC(F)F)c2)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.56
ALK Q9UM73 9/20 0.55
MET P08581 1/20 0.55
JAK2 O60674 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
FLT3 P36888 2/20 0.50
EGFR P00533 3/20 0.49
ROS1 P08922 2/20 0.49
PTK2 Q05397 1/20 0.49
CDC7 O00311 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
SCHEMBL2123175 0.91 GLO1 (0.63) GLO1ALKMETJAK2HDAC3
SCHEMBL2125825 0.85 GLO1 (0.51) GLO1ALKMETEGFRROS1
SCHEMBL2122740 0.85 MAP3K7 (0.57) GLO1ALKMETJAK2HDAC3
SCHEMBL2124881 0.84 JAK2 (0.55) GLO1ALKMETJAK2HDAC3
SCHEMBL2123417 0.84 ALK (0.67) GLO1ALKMETJAK2FLT3
SCHEMBL2123700 0.82 ALK (0.57) ALKMETEGFRROS1
SCHEMBL15547080 0.80 JAK3 (0.61) ALKJAK2FLT4AURKAJAK1
SCHEMBL12795375 0.78 PTK2 (0.44) GLO1JAK2HDAC3HDAC1HDAC10
Hydrochloric Acid SCHEMBL12801983 0.77 PTK2 (0.43) GLO1JAK2HDAC3HDAC1HDAC10
SCHEMBL2123044 0.77 GLO1 (0.58) GLO1ALKMETJAK2HDAC3

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 3371/4885ALK 233/4885MET 2363/4885

“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.