SCHEMBL19714022

SCHEMBL19714022

O=C(NC1CC1)c1ccc2c(n1)N(C(=O)Nc1cc(-c3cnco3)ccn1)[C@H]1CCN2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.41
▸ WNT1 P04628 17/20 0.41
▸ GSK3B P49841 16/20 0.41
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL19714327 0.88 DYRK1A (0.41) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19714019 0.87 GSK3B (0.43) DYRK1AWNT1GSK3B
SCHEMBL19714065 0.86 DYRK1A (0.40) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19735191 0.86 DYRK1A (0.40) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19714212 0.86 DYRK1A (0.40) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19714066 0.86 DYRK1A (0.40) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL22239739 0.86 DYRK1A (0.43) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17770379 0.84 PIK3C3 (0.34) DYRK1AGSK3BPIK3C3
SCHEMBL17768270 0.84 DYRK1A (0.43) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19713766 0.84 RPS6KA3 (0.39) PIK3C3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP claimed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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 (2 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 DYRK1A 2959/4885WNT1 3504/4885GSK3B 2340/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2959/4885WNT1 3504/4885GSK3B 2340/4885

“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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