SCHEMBL19699532

SCHEMBL19699532

CC(C)C(=O)Nc1cc(-c2cncn2C)ccn1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.57
DYRK1A Q13627 20/20 0.57
WNT1 P04628 14/20 0.57
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48

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
SCHEMBL19706556 0.86 PIK3C3 (0.53) GSK3BDYRK1AWNT1
SCHEMBL19736130 0.82 GSK3B (0.45) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19699553 0.76 DYRK1A (0.57) GSK3BDYRK1AWNT1
SCHEMBL19699521 0.74 DYRK1A (0.48) GSK3BDYRK1AWNT1
SCHEMBL24932350 0.74 EGFR (0.61) GSK3B
SCHEMBL19699524 0.73 ADORA3 (0.50) GSK3BDYRK1AWNT1
SCHEMBL30005216 0.73 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515249 0.73 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516003 0.72 GSK3B (0.98) GSK3BDYRK1AWNT1
SCHEMBL15627415 0.72 TYK2 (0.52) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2322/4885DYRK1A 3048/4885WNT1 3338/4885
US-20170362234-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.