SCHEMBL17778748

SCHEMBL17778748

Cc1ncc(-c2ccnc(NC(=O)N3c4nc(-c5ccnc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 0.42
▸ DYRK1A Q13627 20/20 0.42
▸ WNT1 P04628 6/20 0.39

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
SCHEMBL19689740 0.90 GSK3B (0.44) GSK3BDYRK1AWNT1
SCHEMBL17768043 0.90 GSK3B (0.44) GSK3BDYRK1AWNT1
SCHEMBL17778891 0.88 DYRK1A (0.40) GSK3BDYRK1AWNT1
SCHEMBL19689768 0.86 GSK3B (0.37) GSK3BDYRK1AWNT1
SCHEMBL17768065 0.86 NR3C2 (0.38) GSK3B
SCHEMBL17778750 0.86 NR3C2 (0.38) GSK3B
SCHEMBL17618458 0.85 TRPV1 (0.41) GSK3BDYRK1A
SCHEMBL17778744 0.83 RAF1 (0.39) —
SCHEMBL17618454 0.83 CYP2C19 (0.38) —
SCHEMBL19689662 0.83 GSK3B (0.39) GSK3BDYRK1AWNT1

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 GSK3B 2322/4885DYRK1A 3048/4885WNT1 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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