SCHEMBL17778891

SCHEMBL17778891

O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 17/20 0.40
▸ GSK3B P49841 15/20 0.40
▸ WNT1 P04628 14/20 0.39
▸ CLK2 P49760 2/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ RHOA P61586 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ NR3C2 P08235 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
SCHEMBL16238636 0.91 RHOA (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17618869 0.89 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17767959 0.89 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19699109 0.88 DYRK1A (0.39) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17778748 0.88 GSK3B (0.42) DYRK1AGSK3BWNT1
SCHEMBL17618859 0.87 DYRK1A (0.40) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17624504 0.87 RHOA (0.43) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL17768065 0.86 NR3C2 (0.38) GSK3BCYP2C19PIK3CANR3C2
SCHEMBL17778750 0.86 NR3C2 (0.38) GSK3BCYP2C19PIK3CANR3C2
SCHEMBL17624498 0.86 RHOA (0.40) DYRK1AGSK3BWNT1RHOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 3048/4885GSK3B 2322/4885WNT1 3338/4885

“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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