Sugi Predict

Sugi Predict / Compounds / SCHEMBL934085

SCHEMBL934085

SCHEMBL934085

[c]1cccnc1OC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.35
▸ GRM5 P41594 2/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ LOX P28300 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL23674932 0.96 LRRK2 (0.35) LRRK2GRM5PDE5APDE4APDE4B
SCHEMBL23674966 0.95 LOX (0.36) LRRK2GRM5PDE5APDE4APDE4B
SCHEMBL23674837 0.92 MALT1 (0.31) —
SCHEMBL3742882 0.84 HRH1 (0.43) —
SCHEMBL7527201 0.78 CHRNB2 (0.47) —
SCHEMBL19641629 0.72 LRRK2 (0.36) LRRK2LOXLOXL2
SCHEMBL2066664 0.70 PDE5A (0.37) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28980383 0.67 FFAR4 (0.43) LRRK2PDE5APDE4APDE4BPDE4C
SCHEMBL126131 0.67 — —
SCHEMBL27859859 0.67 CDK4 (0.41) LRRK2PDE5APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 — — EP disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 — — EP disclosed
EP-3363797-A1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2018-08-22 — — EP disclosed
EP-2933252-B1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES INC (US) 2018-01-03 — — EP disclosed
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 — — US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 — — US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 — — US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 — — US disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 — — US disclosed
WO-2014057435-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-04-17 — — WO disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 — — US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 — — US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 — — US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 — — US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 — — US disclosed
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 — — EP disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 — — WO disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 — — 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 (7 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885GRM5 2544/4885PDE5A 1825/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885GRM5 2544/4885PDE5A 1825/4885
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R LRRK2 2257/4885GRM5 573/4885PDE5A 1529/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 LRRK2 131/4885GRM5 2399/4885PDE5A 1744/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885GRM5 2544/4885PDE5A 1825/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 LRRK2 118/4885GRM5 2475/4885PDE5A 1726/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 LRRK2 117/4885GRM5 2544/4885PDE5A 1825/4885

“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.