SCHEMBL3044953

SCHEMBL3044953

O=[N+]([O-])c1cnc2ccc(NC3CCC(O)CC3)nn12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.54
KCNH2 Q12809 4/20 0.54
MKNK1 Q9BUB5 3/20 0.52
IKBKB O14920 1/20 0.46
FYN P06241 2/20 0.45
JAK2 O60674 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
JAK3 P52333 1/20 0.42
PRKCQ Q04759 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MALT1 Q9UDY8 1/20 0.42

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
SCHEMBL3044948 1.00 PIM1 (0.54) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL11669257 0.81 JAK2 (0.48) PIM1KCNH2MKNK1JAK2CDK2
SCHEMBL3037775 0.81 PIM1 (0.60) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3037771 0.81 PIM1 (0.60) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL1054446 0.79 PIM1 (0.60) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3033387 0.79 PIM1 (0.60) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3033386 0.79 PIM1 (0.60) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL16009992 0.79 PIM1 (0.60) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3041629 0.76 PIM1 (0.76) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3041613 0.76 PIM1 (0.76) PIM1KCNH2MKNK1IKBKBFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
EP-1910369-A1 FUSED HETEROCYCLES AS LCK INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007013673-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-02-01 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN PIM1 138/4885KCNH2 235/4885MKNK1 816/4885

“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.