SCHEMBL20733262

SCHEMBL20733262

CCN1CCCNc2nc(-c3ccnc(C)c3)cc(C)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.36
▸ AAK1 Q2M2I8 3/20 0.35
▸ TLR9 Q9NR96 5/20 0.34
▸ TLR8 Q9NR97 5/20 0.34
▸ TLR7 Q9NYK1 5/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ UHRF1 Q96T88 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL19670139 0.83 MAP4K4 (0.37) BUB1AAK1TLR9TLR8TLR7
SCHEMBL20733136 0.77 MAPK14 (0.35) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL20733111 0.73 MAPK14 (0.36) TLR9TLR8TLR7
SCHEMBL20733312 0.69 RPS6KA3 (0.34) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL17769518 0.69 GRM5 (0.39) AAK1TLR9TLR8TLR7GRM5
SCHEMBL17768151 0.68 USP30 (0.39) AAK1TLR9TLR8TLR7GRM5
SCHEMBL17778653 0.68 USP30 (0.39) AAK1TLR9TLR8TLR7GRM5
SCHEMBL11104270 0.61 CCNC (0.46) AAK1UHRF1MAP4K4
SCHEMBL19865027 0.61 PIM1 (0.34) —
SCHEMBL16775802 0.59 SMN1; SMN2 (0.36) KDM4EALDH1A1HPGDHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BUB1 784/4885AAK1 2799/4885TLR9 4118/4885

“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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