SCHEMBL17618606

SCHEMBL17618606

CS(=O)(=O)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 5/20 0.40
▸ DGAT2 Q96PD7 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ BTK Q06187 4/20 0.35
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL17624238 0.95 PIK3C3 (0.41) PIK3C3ATRNPC1RAB9ALMNA
SCHEMBL17618609 0.92 PIK3C3 (0.41) PIK3C3DGAT2PIM3PIM2CYP11B2
SCHEMBL17618610 0.91 PIK3C3 (0.38) PIK3C3DGAT2ATRPIM3PIM2
SCHEMBL17618611 0.90 FAAH (0.38) PIK3C3DGAT2PIM3PIM2
SCHEMBL17618714 0.89 PRMT5 (0.40) DGAT2BTKPIM3PIM2GSK3B
SCHEMBL17618633 0.88 GRM5 (0.39) DGAT2BTKPIM3PIM2RAB9A
SCHEMBL17618686 0.88 GSK3B (0.37) DGAT2BTKPIM3PIM2GSK3B
SCHEMBL17618607 0.87 ALDH1A1 (0.41) PIK3C3DGAT2BTKPIM3PIM2
SCHEMBL17618661 0.86 PIM3 (0.44) ATRBTKPIM3PIM2TSHR
SCHEMBL19365637 0.86 PIM2 (0.35) DGAT2BTKPIM3PIM2GSK3B

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 1022/4885ATR 1768/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3C3 4778/4885DGAT2 1047/4885ATR 1867/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3C3 4778/4885DGAT2 1047/4885ATR 1867/4885

“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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