SCHEMBL998092

SCHEMBL998092

CCS[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.72
ADORA1 P30542 2/20 0.72
PI4KA P42356 2/20 0.72
PI4K2B Q8TCG2 2/20 0.72
PI4K2A Q9BTU6 2/20 0.72
PI4KB Q9UBF8 2/20 0.72
DPP4 P27487 1/20 0.72
MEN1 O00255 1/20 0.72
SLC28A1 O00337 1/20 0.72
MAP3K7 O43318 1/20 0.72
SLC28A2 O43868 1/20 0.72
GAPDH P04406 1/20 0.72
MAPK1 P28482 1/20 0.72
ADORA2A P29274 1/20 0.72
ADORA2B P29275 1/20 0.72
STAT6 P42226 1/20 0.72
KMT2A Q03164 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
DOT1L Q8TEK3 1/20 0.72
SLC29A1 Q99808 1/20 0.72

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
SCHEMBL23813617 0.92 ADORA3 (0.69) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21350869 0.92 ADORA3 (0.69) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6742221 0.92 ADORA3 (0.72) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6900435 0.90 AHCY (0.65) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6906769 0.90 AHCY (0.65) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21350868 0.90 ADORA3 (0.69) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23813618 0.90 ADORA3 (0.69) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21350901 0.89 ADORA3 (0.75) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21350867 0.89 ADORA3 (0.75) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23813545 0.89 ADORA3 (0.75) ADORA3ADORA1PI4KAPI4K2BPI4K2A

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
WO-2011009039-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-01-20 WO disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US 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-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
US-20030187276-A1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. 2003-10-02 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO 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 (10 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 ADORA3 619/4885ADORA1 1334/4885PI4KA 2460/4885
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS ADORA3 1453/4885ADORA1 1438/4885PI4KA 3910/4885
US-10085955-B2 Methods and compositions for treatment of demyelinating diseases SRM, PMP22, SMS ADORA3 1453/4885ADORA1 1438/4885PI4KA 3910/4885
US-20050176828-A1 Hydrophobic polyamine analogs and methods for their use SRM, SMS, HNMT ADORA3 619/4885ADORA1 1334/4885PI4KA 2460/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB ADORA3 2606/4885ADORA1 1727/4885PI4KA 4683/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB ADORA3 2606/4885ADORA1 1727/4885PI4KA 4683/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 ADORA3 519/4885ADORA1 409/4885PI4KA 3090/4885
US-20180360783-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PMP22, MAG, GMFG ADORA3 4117/4885ADORA1 4318/4885PI4KA 4759/4885
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP ADORA3 743/4885ADORA1 858/4885PI4KA 2717/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG ADORA3 4117/4885ADORA1 4318/4885PI4KA 4759/4885

“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.