SCHEMBL14906142

SCHEMBL14906142

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 5/20 0.52
PIM1 P11309 2/20 0.52
PIM3 Q86V86 2/20 0.52
GSK3B P49841 5/20 0.50
DYRK1A Q13627 3/20 0.50
PRKCA P17252 3/20 0.50
PRKCQ Q04759 3/20 0.50
ATR Q13535 13/20 0.47
PRKDC P78527 3/20 0.46
CYP3A4 P08684 1/20 0.45
ATM Q13315 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
SCHEMBL1911292 0.93 GSK3B (0.53) PIM2PIM1PIM3GSK3BDYRK1A
SCHEMBL14906126 0.93 GSK3B (0.53) PIM2PIM1PIM3GSK3BDYRK1A
SCHEMBL14906147 0.90 GSK3B (0.52) PIM2PIM1PIM3GSK3BDYRK1A
SCHEMBL14906093 0.90 GSK3B (0.52) PIM2PIM1PIM3GSK3BDYRK1A
SCHEMBL14906141 0.86 CYP3A4 (0.51) PIM2PIM1PIM3GSK3BCYP3A4
SCHEMBL14906159 0.85 GSK3B (0.54) PIM2PIM1PIM3GSK3BDYRK1A
SCHEMBL14906100 0.85 GSK3B (0.54) PIM2PIM1PIM3GSK3BDYRK1A
SCHEMBL319247 0.83 PIM2 (0.56) PIM2PIM1PIM3GSK3BCYP3A4
SCHEMBL14906097 0.82 GSK3B (0.52) PIM2GSK3BDYRK1APRKCAPRKCQ
SCHEMBL14906113 0.82 PIM2 (0.52) PIM2PIM1PIM3GSK3BDYRK1A

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 PIM2 4/4885PIM1 1/4885PIM3 5/4885

“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.