SCHEMBL14906159

SCHEMBL14906159

C[C@@H]1O[C@H](c2ccncc2NC(=O)c2nc(-c3ccccc3)cnc2N)C[C@H](N)[C@@]1(C)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.54
PIM2 Q9P1W9 5/20 0.54
DYRK1A Q13627 3/20 0.54
PRKCA P17252 3/20 0.54
PRKCQ Q04759 3/20 0.54
ATR Q13535 13/20 0.49
PRKDC P78527 2/20 0.48
CYP3A4 P08684 1/20 0.47
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46

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
SCHEMBL14906100 1.00 GSK3B (0.54) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14906093 0.92 GSK3B (0.52) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14906147 0.92 GSK3B (0.52) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14906126 0.91 GSK3B (0.53) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL1911292 0.91 GSK3B (0.53) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14906167 0.90 PIM2 (0.52) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14906113 0.90 PIM2 (0.52) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14906213 0.90 GSK3B (0.54) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14892678 0.90 GSK3B (0.54) GSK3BPIM2DYRK1APRKCAPRKCQ
SCHEMBL14892117 0.90 GSK3B (0.54) GSK3BPIM2DYRK1APRKCAPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B GSK3B 3/4885PIM2 4/4885DYRK1A 421/4885

“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.