SCHEMBL19714521

SCHEMBL19714521

O=C(NC1CC1)c1ccnc(NC(=O)N2c3nc(C(=O)O)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.37
▸ ACHE P22303 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 7/20 0.35
▸ MAP3K6 O95382 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ CCNE1 P24864 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL19713968 0.91 NAMPT (0.38) GSK3BMAPTPIK3C3
SCHEMBL19713967 0.91 NAMPT (0.38) GSK3BMAPTPIK3C3
SCHEMBL19736471 0.89 ACACB (0.37) GSK3BMAPTPIK3C3CCNE1CDK2
SCHEMBL19713863 0.88 MAPT (0.36) GSK3BMAPT
SCHEMBL19736512 0.88 MAPT (0.36) GSK3BMAPT
SCHEMBL19713930 0.86 RPS6KB1 (0.34) GSK3BACHEMAPTPIK3C3RPS6KB1
SCHEMBL19713928 0.86 RPS6KB1 (0.34) GSK3BACHEMAPTPIK3C3RPS6KB1
SCHEMBL17770379 0.85 PIK3C3 (0.34) GSK3BPIK3C3RPS6KB1CCNE1CDK2
SCHEMBL19713766 0.85 RPS6KA3 (0.39) POLBPIK3C3CCNE1CDK2
SCHEMBL22239520 0.85 GSK3B (0.31) GSK3BCDK2

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
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

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 GSK3B 2340/4885ACHE 2300/4885POLB 590/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2340/4885ACHE 2300/4885POLB 590/4885

“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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