SCHEMBL16776521

SCHEMBL16776521

N#Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ STAT3 P40763 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
SCHEMBL16754493 0.90 CHEK1 (0.37) USP30CHEK1PDE4APDE4BPDE4C
SCHEMBL17618510 0.88 PIK3CA (0.41) GSK3BDYRK1AABL1TRPV1FAAH
SCHEMBL17768254 0.87 GRM5 (0.37) GSK3BDYRK1AABL1TRPV1FAAH
SCHEMBL19361197 0.87 FAAH (0.43) TRPV1FAAHMEN1KMT2A
SCHEMBL19689743 0.86 SCD (0.40) CHRM4GSK3BDYRK1AABL1TRPV1
SCHEMBL17618603 0.86 GSK3B (0.40) CHRM4JAK2GSK3BDYRK1AJAK3
SCHEMBL16754458 0.86 HTR2C (0.40) CHRM4PDE4APDE4BPDE4CPDE4D
SCHEMBL17618444 0.86 USP30 (0.42) USP30PDE4APDE4BPDE4CPDE4D
SCHEMBL19699706 0.86 CNR2 (0.47) GSK3BDYRK1ATRPV1FAAHMEN1
SCHEMBL17618584 0.85 CHRM4 (0.41) CHRM4PDE4BPDE4DGSK3BDYRK1A

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM4 4421/4885USP30 119/4885CHEK1 918/4885

“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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