SCHEMBL17618610

SCHEMBL17618610

CS(=O)(=O)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 5/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ PIM2 Q9P1W9 3/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ PIM1 P11309 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ FAAH O00519 2/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ MTOR P42345 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
SCHEMBL17618606 0.91 PIK3C3 (0.40) PIK3C3DGAT2PIM2PIM3CYP11B2
SCHEMBL17618609 0.90 PIK3C3 (0.41) PIK3C3DGAT2PIM2PIM3CYP11B2
SCHEMBL17618730 0.89 LRRK2 (0.36) DGAT2PIM2PIM3PIM1FAAH
SCHEMBL17618611 0.87 FAAH (0.38) PIK3C3DGAT2PIM2PIM3CREBBP
SCHEMBL17624238 0.86 PIK3C3 (0.41) PIK3C3PIM1ATRPIK3CAMTOR
SCHEMBL19365551 0.86 PIM2 (0.34) PIM2PIM3PIM1FAAH
SCHEMBL17618675 0.86 PIM3 (0.46) PIM2PIM3PIM1PIK3CGATR
SCHEMBL17618607 0.85 ALDH1A1 (0.41) PIK3C3DGAT2PIM2PIM3
SCHEMBL19365550 0.85 PIM2 (0.37) PIM2PIM3CYP11B2PIM1ATR
SCHEMBL17618755 0.85 GSK3B (0.38) DGAT2PIM2PIM3CYP11B2

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 PIK3C3 4732/4885DGAT2 1022/4885PIM2 3491/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3C3 4778/4885DGAT2 1047/4885PIM2 3242/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3C3 4778/4885DGAT2 1047/4885PIM2 3242/4885

“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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