SCHEMBL1911279

SCHEMBL1911279

O=C(Nc1cnccc1[C@@H]1C[C@H](O)[C@]2(O)CCC[C@@H]2O1)c1c[nH]cc(-c2ccccc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 12/20 0.35
MAPT P10636 10/20 0.35
GSK3B P49841 7/20 0.35
NPY5R Q15761 2/20 0.32
ATR Q13535 1/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKCQ Q04759 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL14891994 1.00 GSK3A (0.35) GSK3AMAPTGSK3BNPY5RATR
SCHEMBL14891672 0.98 MAPT (0.35) GSK3AMAPTGSK3BNPY5RATR
SCHEMBL14892173 0.98 MAPT (0.35) GSK3AMAPTGSK3BNPY5RATR
SCHEMBL14906150 0.81 PIM2 (0.38) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL1911277 0.80 MAPT (0.37) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL1911219 0.80 MAPT (0.37) GSK3AMAPTGSK3BPIM1
SCHEMBL14892798 0.80 MET (0.37) GSK3A
SCHEMBL14892188 0.80 MET (0.37) GSK3A
SCHEMBL14906097 0.78 GSK3B (0.52) GSK3BATRPRKCQ
SCHEMBL1910925 0.77 GSK3A (0.39) GSK3AMAPTGSK3BPIM1CDK2

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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B GSK3A 2/4885MAPT 2904/4885GSK3B 3/4885

“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.