SCHEMBL20733294

SCHEMBL20733294

CCN1CCCNc2nc(C(=O)N[C@H](C)C(F)(F)F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 9/20 0.35
▸ CNR2 P34972 3/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ AXL P30530 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL20733208 0.81 GSK3B (0.35) RPS6KA3JAK2AXLGSK3BDYRK1A
SCHEMBL20733150 0.78 PTGER4 (0.39) RPS6KA3
SCHEMBL19736443 0.78 GSK3B (0.39) RPS6KA3CNR2CNR1GSK3BDYRK1A
SCHEMBL20733244 0.71 FGFR4 (0.37) RPS6KA3
SCHEMBL20733310 0.71 ALDH1A1 (0.35) —
SCHEMBL17769426 0.71 CNR2 (0.40) CNR2JAK2AXLCNR1
SCHEMBL17769423 0.71 CNR2 (0.40) CNR2JAK2AXLCNR1
SCHEMBL17776462 0.70 CNR2 (0.37) CNR2AXLCNR1
SCHEMBL17770047 0.70 CNR2 (0.37) CNR2AXLCNR1
SCHEMBL17770046 0.70 CNR2 (0.37) CNR2AXLCNR1

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RPS6KA3 1949/4885CNR2 3062/4885JAK2 1856/4885

“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.

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