Sugi Predict

Sugi Predict / Compounds / SCHEMBL3397617

SCHEMBL3397617

SCHEMBL3397617

CC(C)(C)OC(=O)N1CCC(=Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ ABCB1 P08183 1/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ PDK4 Q16654 1/20 0.35

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
SCHEMBL8026194 0.87 GRM5 (0.38) USP30GRM5ABCB1ESR2NR1H2
SCHEMBL13750914 0.86 SRD5A1 (0.38) GRM5GPR119AAK1
SCHEMBL1010341 0.83 FAAH (0.48) USP30GPR119
SCHEMBL3397620 0.83 GPR119 (0.38) GRM5GPR119AAK1
SCHEMBL1363915 0.80 GRM5 (0.47) GRM5ABCB1ESR2NR1H2GPR119
SCHEMBL1009267 0.80 ESR2 (0.53) GRM5ABCB1ESR2NR1H2GPR119
SCHEMBL23783050 0.80 USP30 (0.41) USP30GRM5ABCB1ESR2NR1H2
SCHEMBL4193723 0.79 FAAH (0.43) USP30GPR119
SCHEMBL4857164 0.79 GPR119 (0.53) GRM5ABCB1ESR2NR1H2GPR119
SCHEMBL29384737 0.79 GPR119 (0.51) USP30ABCB1NR1H2GPR119

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 — — US disclosed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 — — US disclosed
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 — — US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 — — US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 — — US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 — — US disclosed
EP-2867233-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2015-05-06 — — EP disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 — — WO disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 — — WO disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 — — US disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 — — EP disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 — — 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A USP30 3661/4885GRM5 936/4885ABCB1 1054/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B USP30 3647/4885GRM5 1506/4885ABCB1 1267/4885
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 USP30 2855/4885GRM5 1577/4885ABCB1 944/4885

“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.