SCHEMBL17618608

SCHEMBL17618608

CS(=O)(=O)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H]2CCCN3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ DGAT2 Q96PD7 2/20 0.37
▸ CREBBP Q92793 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ CLK2 P49760 3/20 0.33
▸ CLK3 P49761 3/20 0.33
▸ DYRK1A Q13627 3/20 0.33
▸ PIK3CG P48736 3/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ ATR Q13535 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FPR1 P21462 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
SCHEMBL17618607 0.89 ALDH1A1 (0.41) DGAT2PIK3C3BTKPIM2
SCHEMBL17618718 0.89 PRMT5 (0.36) SCN10ADGAT2CLK2CLK3DYRK1A
SCHEMBL17618674 0.86 PIM2 (0.43) PIM2PIM1
SCHEMBL19365348 0.86 PIM2 (0.34) DGAT2CLK2CLK3DYRK1AROCK2
SCHEMBL17618636 0.86 SCN10A (0.39) SCN10ACLK2CLK3DYRK1ABTK
SCHEMBL19365349 0.85 CDK9 (0.35) CLK2CLK3DYRK1ABTKPIM2
SCHEMBL17618740 0.85 ABL1 (0.38) SCN10ADGAT2CLK2CLK3DYRK1A
SCHEMBL17618691 0.85 ABL1 (0.38) DYRK1APIK3CAPIM2
SCHEMBL17618609 0.85 PIK3C3 (0.41) SCN10ADGAT2CREBBPPIK3C3DYRK1A
SCHEMBL17618610 0.84 PIK3C3 (0.38) SCN10ADGAT2CREBBPPIK3C3PIK3CG

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 9 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN10A 3357/4885DGAT2 1022/4885CREBBP 419/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN10A 3878/4885DGAT2 1047/4885CREBBP 528/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SCN10A 3878/4885DGAT2 1047/4885CREBBP 528/4885

“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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