Sugi Predict

Sugi Predict / Compounds / SCHEMBL5024

SCHEMBL5024

SCHEMBL5024

c1cnc(N2CC[N]CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SLC6A7 Q99884 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ DRD4 P21917 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL2320496 0.83 SORD (0.51) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL31014265 0.83 SORD (0.51) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL18228513 0.83 SORD (0.51) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL468382 0.81 SORD (0.50) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL2320514 0.81 SORD (0.50) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL30785422 0.81 SORD (0.50) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL1266496 0.79 SORD (0.49) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL2074813 0.78 LMNA (0.54) SORDKDM4ELMNAL3MBTL1SLC6A7
SCHEMBL1477436 0.78 PLD1 (0.56) SORDKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL21799195 0.78 SORD (0.47) SORDKDM4ELMNAL3MBTL1SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 — — CN claimed
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 — — US claimed
US-9238643-B2 Amide compounds GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-19 — — US claimed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 — — US claimed
EP-2877180-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 — — EP claimed
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 — — EP claimed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 — — US claimed
WO-2014018891-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 — — WO claimed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 — — US claimed
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 — — EP claimed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 — — US claimed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 — — US claimed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 — — EP claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 — — US claimed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 — — EP claimed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 — — WO claimed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 — — US claimed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 — — EP claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 — — US claimed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 SORD 2319/4885KDM4E 1037/4885LMNA 3995/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 SORD 3936/4885KDM4E 2551/4885LMNA 2633/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 SORD 623/4885KDM4E 4460/4885LMNA 3111/4885
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 SORD 4821/4885KDM4E 2288/4885LMNA 2299/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 SORD 2578/4885KDM4E 1271/4885LMNA 4186/4885
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 SORD 3656/4885KDM4E 2666/4885LMNA 3923/4885
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 SORD 4528/4885KDM4E 3070/4885LMNA 2135/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 SORD 2351/4885KDM4E 1557/4885LMNA 939/4885

“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.