SCHEMBL14891732

SCHEMBL14891732

O=C(Nc1cnccc1[C@H]1C[C@@H](O)[C@@]2(O)CCC[C@H]2O1)c1ccnn(-c2ccccc2F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.36
MAPT P10636 2/20 0.36
MET P08581 1/20 0.35
PIM2 Q9P1W9 13/20 0.34
PIM1 P11309 10/20 0.34
PIM3 Q86V86 10/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
DHODH Q02127 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL14892641 1.00 GSK3A (0.36) GSK3AMAPTMETPIM2PIM1
SCHEMBL10278589 0.98 GSK3A (0.35) GSK3AMAPTMETPIM2PIM1
SCHEMBL14891838 0.98 GSK3A (0.35) GSK3AMAPTMETPIM2PIM1
SCHEMBL1911293 0.81 PIM1 (0.37) GSK3AMETPIM2PIM1PIM3
SCHEMBL14892798 0.81 MET (0.37) GSK3AMET
SCHEMBL14892188 0.81 MET (0.37) GSK3AMET
SCHEMBL319394 0.77 PIM1 (0.59) PIM2PIM1PIM3GSK3B
SCHEMBL14891994 0.77 GSK3A (0.35) GSK3AMAPTPIM1GSK3B
SCHEMBL1911279 0.77 GSK3A (0.35) GSK3AMAPTPIM1GSK3B
SCHEMBL1911291 0.77 PIM1 (0.59) PIM2PIM1PIM3GSK3B

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 2 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

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 2904/4885MET 614/4885

“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.