SCHEMBL20733111

SCHEMBL20733111

CCN1CCCNc2nc(-c3ccnc(C)c3)c(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ GRM2 Q14416 11/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ WNT3A P56704 2/20 0.34
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL20733136 0.89 MAPK14 (0.35) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL19670139 0.81 MAP4K4 (0.37) WNT3ATLR9TLR8TLR7
SCHEMBL20733262 0.73 BUB1 (0.36) TLR9TLR8TLR7
SCHEMBL16775802 0.71 SMN1; SMN2 (0.36) —
SCHEMBL17778610 0.70 GRM2 (0.37) GRM2MAPK1
SCHEMBL17768262 0.70 GRM2 (0.38) GRM2MAPK1
SCHEMBL17778635 0.70 GRM2 (0.38) GRM2MAPK1
SCHEMBL19705991 0.67 MAP4K4 (0.39) —
SCHEMBL20733208 0.63 GSK3B (0.35) MAPK1
SCHEMBL23407599 0.63 TGFBR1 (0.43) MAPK14MAPK13GCGRMAPK12MAPK11

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 MAPK14 1363/4885MAPK13 2033/4885GCGR 624/4885

“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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