SCHEMBL19365317

SCHEMBL19365317

C[C@@H]1CCN(C)c2ccc(-c3cccc(O)c3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK1 Q15118 2/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ PDK3 Q15120 2/20 0.38
▸ PDK4 Q16654 2/20 0.38
▸ PIK3CA P42336 5/20 0.38
▸ PIK3CB P42338 3/20 0.38
▸ PIK3CG P48736 3/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL19365613 0.91 FAAH (0.40) GSK3BDYRK1ACNR2NPC1RAB9A
SCHEMBL19670153 0.88 VCP (0.41) GSK3BDYRK1ACNR2PTGS1PTGS2
SCHEMBL19670231 0.88 USP30 (0.40) GSK3BDYRK1ACNR2PDK1PDK2
SCHEMBL19365276 0.88 WNT3A (0.41) GSK3BDYRK1APTGS1PTGS2TRPV1
SCHEMBL19670150 0.86 IRAK4 (0.40) GSK3BMAPK14PIM2TRPV1
SCHEMBL19365434 0.86 VCP (0.41) GSK3BDYRK1ACNR2PTGS1PTGS2
SCHEMBL19365436 0.86 VCP (0.41) GSK3BDYRK1ACNR2PTGS1PTGS2
SCHEMBL19365426 0.85 GSK3B (0.41) GSK3BDYRK1ANPC1RAB9APIK3CA
SCHEMBL19670375 0.85 TRPV1 (0.41) GSK3BDYRK1ANPC1SMN1; SMN2PIK3CA
SCHEMBL19365432 0.84 MDM2 (0.39) GSK3BDYRK1ACNR2PTGS1PTGS2

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2465/4885DYRK1A 2415/4885CNR2 3123/4885

“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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