SCHEMBL15072161

SCHEMBL15072161

Cc1cnc(Nc2cnn(C)c2)nc1NC[C@H]1CCCN1CCS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.50
JAK2 O60674 9/20 0.43
TYK2 P29597 4/20 0.43
AURKB Q96GD4 5/20 0.42
KDR P35968 3/20 0.42
JAK3 P52333 4/20 0.41
AURKA O14965 3/20 0.41
FLT3 P36888 2/20 0.41
ALK Q9UM73 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
IKBKE Q14164 1/20 0.41
BRSK2 Q8IWQ3 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
ABL1 P00519 2/20 0.40
STAT3 P40763 2/20 0.40
GSK3B P49841 2/20 0.40

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
SCHEMBL15059207 1.00 JAK1 (0.50) JAK1JAK2TYK2AURKBKDR
SCHEMBL15059179 1.00 JAK1 (0.50) JAK1JAK2TYK2AURKBKDR
SCHEMBL15060512 0.90 JAK1 (0.51) JAK1JAK2TYK2AURKBKDR
SCHEMBL15059486 0.90 JAK1 (0.51) JAK1JAK2TYK2AURKBKDR
SCHEMBL15059710 0.89 JAK3 (0.42) JAK1JAK2AURKBJAK3AURKA
SCHEMBL15059333 0.89 JAK3 (0.42) JAK1JAK2AURKBJAK3AURKA
SCHEMBL16337592 0.86 JAK1 (0.55) JAK1JAK2TYK2AURKBKDR
SCHEMBL15060368 0.86 JAK1 (0.55) JAK1JAK2TYK2AURKBKDR
SCHEMBL15059030 0.86 JAK1 (0.55) JAK1JAK2TYK2AURKBKDR
SCHEMBL15058940 0.85 JAK1 (0.50) JAK1JAK2TYK2AURKBKDR

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 5 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
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
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US 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 1/4885TYK2 4/4885

“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.