SCHEMBL20720935

SCHEMBL20720935

Cc1ncc(-c2ccnc(NC(=O)N3c4nc(C(=O)NC(C)C(F)(F)F)ccc4N4CCC[C@H]3C4)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.37
▸ DYRK1A Q13627 8/20 0.37
▸ WNT1 P04628 5/20 0.37
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ NR3C2 P08235 1/20 0.32
▸ RORC P51449 4/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32

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
SCHEMBL17778546 1.00 GSK3B (0.37) GSK3BDYRK1AWNT1PIK3CAPIK3CD
SCHEMBL17770057 0.96 DYRK1A (0.38) GSK3BDYRK1AWNT1PIK3CAPIK3CD
SCHEMBL17770061 0.96 DYRK1A (0.38) GSK3BDYRK1AWNT1PIK3CAPIK3CD
SCHEMBL19736182 0.96 DYRK1A (0.38) GSK3BDYRK1AWNT1PIK3CAPIK3CD
SCHEMBL17770272 0.88 MAP3K5 (0.32) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL17770052 0.88 MAP3K5 (0.32) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL17770048 0.88 MAP3K5 (0.32) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL17770276 0.88 MAP3K5 (0.32) PIK3CAPIK3CDPIK3CBPIK3CGAKT1
SCHEMBL17769366 0.87 CNR2 (0.33) GSK3BDYRK1AAKT1NR3C2
SCHEMBL17769368 0.87 CNR2 (0.33) GSK3BDYRK1AAKT1NR3C2

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 GSK3B 2340/4885DYRK1A 2959/4885WNT1 3504/4885

“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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