SCHEMBL19689768

SCHEMBL19689768

Cc1ncc(-c2ccnc(NC(=O)N3c4nc(-c5ccnc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.37
▸ DYRK1A Q13627 5/20 0.37
▸ PIK3CA P42336 5/20 0.37
▸ WNT1 P04628 4/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ SYK P43405 2/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ ACACB O00763 1/20 0.33

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
SCHEMBL17778882 0.91 DYRK1A (0.39) GSK3BDYRK1AWNT1ABL1
SCHEMBL17778750 0.86 NR3C2 (0.38) GSK3BPIK3CACYP2C19NR3C2RAF1
SCHEMBL17768065 0.86 NR3C2 (0.38) GSK3BPIK3CACYP2C19NR3C2RAF1
SCHEMBL17778748 0.86 GSK3B (0.42) GSK3BDYRK1AWNT1
SCHEMBL17618458 0.85 TRPV1 (0.41) GSK3BDYRK1APIK3CACYP2C19NR3C2
SCHEMBL17778744 0.84 RAF1 (0.39) NR3C2RAF1RPS6KB1
SCHEMBL17618454 0.84 CYP2C19 (0.38) PIK3CACYP2C19NR3C2RAF1RPS6KB1
SCHEMBL17778891 0.84 DYRK1A (0.40) GSK3BDYRK1APIK3CAWNT1CYP2C19
SCHEMBL17618449 0.83 HPGDS (0.38) PIK3CACYP2C19POLQRPS6KB1
SCHEMBL19736182 0.83 DYRK1A (0.38) GSK3BDYRK1APIK3CAWNT1PIK3CD

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-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

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 3048/4885PIK3CA 4059/4885

“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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