SCHEMBL19364825

SCHEMBL19364825

CS(=O)(=O)c1cncc(-c2ccc(N)c(N(C(=O)Nc3ccccn3)C3CCCCC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.42
▸ PIK3C3 Q8NEB9 7/20 0.40
▸ GRM5 P41594 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL19365703 0.92 PIK3C3 (0.40) ATRPIK3C3GCKHDAC3HDAC1
SCHEMBL19365798 0.91 PIK3C3 (0.38) ATRPIK3C3HDAC3HDAC1HDAC2
SCHEMBL19364885 0.91 PIK3C3 (0.35) ATRPIK3C3HDAC3HDAC1HDAC2
SCHEMBL19670409 0.88 PRMT5 (0.42) ATRGRM5KDM4ELCK
SCHEMBL19365778 0.87 HDAC3 (0.39) PIK3C3HDAC3HDAC1HDAC2
SCHEMBL19364834 0.87 ALDH1A1 (0.39) ATRALDH1A1HDAC2
SCHEMBL19365309 0.87 CNR2 (0.40) ATRGRM5KDM4EALDH1A1HDAC3
SCHEMBL19365441 0.85 ATR (0.48) ATRHDAC3HDAC1HDAC2
SCHEMBL19706240 0.85 WNT1 (0.40) ATRGRM5ALDH1A1HDAC3HDAC1
SCHEMBL19365471 0.85 ATR (0.36) ATRGRM5LCKALDH1A1HDAC3

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ATR 1867/4885PIK3C3 4778/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ATR 1867/4885PIK3C3 4778/4885GRM5 3471/4885

“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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