SCHEMBL1770184

SCHEMBL1770184

CC(=NNC(=N)N)C(C)=NNC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
FGFR3 P22607 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
MARK3 P27448 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 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
SCHEMBL27111321 1.00 PLK4 (0.35) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL27111188 0.92 PLK4 (0.33) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL2949847 0.83 ALDH1A1 (0.46) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL17234569 0.83 ALDH1A1 (0.46) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL7859358 0.83 ALDH1A1 (0.46) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL2957382 0.82
Hydrochloric Acid SCHEMBL7526024 0.81 ALDH1A1 (0.44) PLK4CHEK1AURKACHUKDAPK3
Hydrochloric Acid SCHEMBL7526029 0.81 ALDH1A1 (0.44) PLK4CHEK1AURKACHUKDAPK3
Hydrochloric Acid SCHEMBL9577861 0.80
SCHEMBL1770011 0.79

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-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
EP-3473247-A1 COMPOSITION FOR ORAL DELIVERY COMPRISING MGBG FOR USE IN TREATING MULTIPLE SCLEROSIS Pathologica LLC (US) 2019-04-24 EP disclosed
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC 2018-12-20 US disclosed
EP-2453886-B1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2018-12-12 EP disclosed
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2018-10-02 US disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 US disclosed
US-9616035-B2 Pharmaceutical for oral delivery comprising MGBG and methods of treating disease PATHOLOGICA, LLC (US) 2017-04-11 US disclosed
EP-1373185-B1 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE AMINEX THERAPEUTICS INC (US) 2017-03-01 EP disclosed
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 US disclosed
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-05-12 US disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
EP-1373185-A4 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6963010-B2 Anticancer agents; osteoporosis; autoimmune disease MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-08 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US disclosed
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use MEDIQUEST THERAPEUTICS, INC. (US) 2005-08-11 US disclosed
EP-1373185-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE Mediquest Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030187276-A1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. 2003-10-02 US disclosed
WO-2002053519-A2 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE MEDIQUEST THERAPEUTICS, INC. (US) 2002-07-11 WO disclosed
EP-0335832-B1 ARYL HYDRAZONES CIBA-GEIGY AG (CH) 1993-02-10 EP 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 (9 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-20030187276-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT PLK4 3571/4885CHEK1 3283/4885AURKA 1773/4885
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS PLK4 2616/4885CHEK1 2009/4885AURKA 3366/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS PLK4 2616/4885CHEK1 2009/4885AURKA 3366/4885
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT PLK4 3571/4885CHEK1 3283/4885AURKA 1773/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB PLK4 4028/4885CHEK1 4552/4885AURKA 4499/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB PLK4 4028/4885CHEK1 4552/4885AURKA 4499/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 PLK4 2454/4885CHEK1 2332/4885AURKA 916/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG PLK4 3183/4885CHEK1 3251/4885AURKA 4852/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG PLK4 3183/4885CHEK1 3251/4885AURKA 4852/4885

“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.