SCHEMBL15057403

SCHEMBL15057403

Cn1cc(Nc2ncc(Cl)c(NC[C@@H]3CCCN3CCC#N)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.49
JAK2 O60674 13/20 0.49
CDK19 Q9BWU1 1/20 0.48
ALK Q9UM73 1/20 0.48
JAK3 P52333 6/20 0.48
TYK2 P29597 5/20 0.48
KDR P35968 4/20 0.47
AURKB Q96GD4 4/20 0.47
STAT3 P40763 2/20 0.47
ABL1 P00519 1/20 0.47
GSK3B P49841 1/20 0.47
AURKA O14965 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL15059330 1.00 JAK1 (0.49) JAK1JAK2CDK19ALKJAK3
SCHEMBL15059328 1.00 JAK1 (0.49) JAK1JAK2CDK19ALKJAK3
SCHEMBL15056692 0.95 JAK1 (0.48) JAK1JAK2CDK19ALKJAK3
SCHEMBL16336473 0.95 JAK1 (0.48) JAK1JAK2CDK19ALKJAK3
SCHEMBL15056275 0.92 JAK1 (0.50) JAK1JAK2CDK19ALKJAK3
SCHEMBL15056273 0.92 JAK1 (0.50) JAK1JAK2CDK19ALKJAK3
SCHEMBL15056700 0.90 JAK1 (0.54) JAK1JAK2JAK3TYK2KDR
SCHEMBL15059488 0.90 JAK1 (0.54) JAK1JAK2JAK3TYK2KDR
SCHEMBL15060000 0.90 JAK1 (0.54) JAK1JAK2JAK3TYK2KDR
SCHEMBL15056989 0.89 JAK2 (0.47) JAK1JAK2JAK3TYK2KDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US claimed
EP-2794598-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2014-10-29 EP claimed
WO-2013092854-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2013-06-27 WO claimed
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US disclosed
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US disclosed
EP-2794598-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2014-10-29 EP disclosed
WO-2013092854-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2013-06-27 WO disclosed
WO-2013092854-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2013-06-27 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-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885CDK19 98/4885

“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.