SCHEMBL17618609

SCHEMBL17618609

CS(=O)(=O)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 6/20 0.41
▸ DGAT2 Q96PD7 2/20 0.39
▸ KCNH2 Q12809 1/20 0.35
▸ PIM2 Q9P1W9 3/20 0.34
▸ GCK P35557 2/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 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
SCHEMBL17618606 0.92 PIK3C3 (0.40) PIK3C3DGAT2PIM2PIM3CYP11B2
SCHEMBL17618610 0.90 PIK3C3 (0.38) PIK3C3DGAT2PIM2PIM3CYP11B2
SCHEMBL17618716 0.89 KMT2A (0.37) DGAT2PIM2PIM3GSK3BDYRK1A
SCHEMBL17618611 0.88 FAAH (0.38) PIK3C3DGAT2PIM2PIM3CREBBP
SCHEMBL17618607 0.88 ALDH1A1 (0.41) PIK3C3DGAT2PIM2PIM3GSK3B
SCHEMBL17618654 0.87 ROCK2 (0.39) DGAT2PIM2PIM3GSK3BDYRK1A
SCHEMBL17618642 0.87 DGAT2 (0.36) DGAT2PIM2PIM3GSK3BDYRK1A
SCHEMBL19361178 0.87 NPC1 (0.36) DGAT2KCNH2
SCHEMBL17624238 0.87 PIK3C3 (0.41) PIK3C3GSK3BDYRK1APIM1
SCHEMBL17618671 0.86 PIM3 (0.45) PIM2PIM3GSK3BDYRK1APIM1

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 1022/4885KCNH2 4187/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3C3 4778/4885DGAT2 1047/4885KCNH2 4052/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3C3 4778/4885DGAT2 1047/4885KCNH2 4052/4885

“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.

Send feedback