SCHEMBL15401192

SCHEMBL15401192

O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2n[nH]c3ncc(F)cc23)ncc1F.[Na]

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.70
GSK3B P49841 2/20 0.70
FLT3 P36888 2/20 0.59
JAK2 O60674 1/20 0.59
SRC P12931 1/20 0.59

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
SCHEMBL16199093 0.99 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199091 0.99 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9977673 0.99 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9940696 0.99 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199081 0.99 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199033 0.99 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL15401189 0.98 GSK3A (0.70) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199060 0.96 GSK3A (0.68) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199107 0.96 GSK3A (0.68) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9977662 0.96 GSK3A (0.68) GSK3AGSK3BFLT3JAK2SRC

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-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 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-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885FLT3 845/4885

“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.