SCHEMBL3512359

SCHEMBL3512359

Nc1nc2nc[nH]c2c(=O)n1COC(O)CCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 0.36
ADORA2A P29274 5/20 0.36
ADORA2B P29275 5/20 0.36
PNP P00491 2/20 0.35
MGMT P16455 2/20 0.34
PDE2A O00408 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
DPP4 P27487 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL20497218 0.91 CDK1 (0.36) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL2113440 0.84 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL15013384 0.84 MEN1 (0.40) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL5664376 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL7586877 0.81 PNP (0.47) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL7617801 0.80 ADORA2A (0.40) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7173171 0.79 ADORA2A (0.40) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8423728 0.79 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL27842808 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL28071828 0.78 PNP (0.45) PDE4APDE4BPDE4CPDE4DADORA2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US claimed
US-20100279408-A1 POLYMERIC SHORT INTERFERING RNA CONJUGATES ENZON PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
EP-2120966-A2 POLYMERIC SHORT INTERFERING RNA CONJUGATES Enzon Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008070477-A2 POLYMERIC SHORT INTERFERING RNA CONJUGATES ENZON PHARMACEUTICALS, INC. (US) 2008-06-12 WO disclosed
US-20080139496-A1 COMBINATION THERAPY FOR REDUCTION OF TOXICITY OF CHEMOTHERAPEUTIC AGENTS CASCADE ESTATE LTD. (GB) 2008-06-12 US disclosed
US-20080027010-A1 Treatment of refractory cancers using Na+/K+-ATPase inhibitors BIONAUT PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-20070105790-A1 Pancreatic cancer treatment using Na+/K+ ATPase inhibitors BIONAUT PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070105789-A1 Combinatorial chemotherapy treatment using Na+/K+ ATPase inhibitors BIONAUT PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20060135441-A1 Combinatorial chemotherapy treatment using Na+/K+ ATPase inhibitors BIONAUT PHARMACEUTICALS, INC. (US) 2006-06-22 US disclosed
US-20060135468-A1 Treatment of refractory cancers using NA+/K+ ATPase inhibitors BIONAUT PHARMACEUTICALS, INC. (US) 2006-06-22 US disclosed
US-20060135442-A1 Pancreatic cancer treatment using Na+/K+ ATPase inhibitors BIONAUT PHARMACEUTICALS, INC. (US) 2006-06-22 US disclosed
US-5646179-A VIRICIDES FOR RETROVIRAL DISEASE TREATMENT ANALYTICON GESELLSCHAFT FUR CHEMISCHE ANALYTIK UND CONSULTING GMBH (DE) 1997-07-08 US disclosed
EP-0577725-A4 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIV FLORIDA (US) 1996-04-17 EP disclosed
US-5321030-A Administering for treatment or prevention AMIRA, INC. (US) 1994-06-14 US disclosed
EP-0577725-A1 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1994-01-12 EP disclosed
WO-1992017185-A1 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1992-10-15 WO disclosed
EP-0312222-B1 TREATMENT OF DISEASES CAUSED BY VIRUSES Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-08-05 EP disclosed
US-4931575-A Chiral glycerol derivatives THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1990-06-05 US disclosed
EP-0312222-A1 Treatment of diseases caused by viruses Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1989-04-19 EP disclosed
EP-0270317-A2 Pharmaceutical compositions for the treatment of diseases caused by viruses Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-06-08 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 (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-20060135468-A1 Treatment of refractory cancers using NA+/K+ ATPase inhibitors ATP1A4, ATP1B1, ATP1A2 PDE4A 471/4885PDE4B 342/4885PDE4C 612/4885
US-20100279408-A1 POLYMERIC SHORT INTERFERING RNA CONJUGATES SNRPE, RNASE1, PHAX PDE4A 4092/4885PDE4B 4016/4885PDE4C 3851/4885
US-20080027010-A1 Treatment of refractory cancers using Na+/K+-ATPase inhibitors ATP1A4, ATP1A3, ATP1B3 PDE4A 475/4885PDE4B 550/4885PDE4C 675/4885
US-20070105789-A1 Combinatorial chemotherapy treatment using Na+/K+ ATPase inhibitors ATP1A4, ATP1A3, HIF1AN PDE4A 512/4885PDE4B 514/4885PDE4C 797/4885
US-20060135442-A1 Pancreatic cancer treatment using Na+/K+ ATPase inhibitors ATP1A4, ATP1B1, ATP1A1 PDE4A 230/4885PDE4B 152/4885PDE4C 341/4885
US-20070105790-A1 Pancreatic cancer treatment using Na+/K+ ATPase inhibitors ATP1A4, ATP1A3, ATP1A1 PDE4A 378/4885PDE4B 361/4885PDE4C 602/4885
US-20060135441-A1 Combinatorial chemotherapy treatment using Na+/K+ ATPase inhibitors ATP1A1, HIF1AN, ATP1A4 PDE4A 633/4885PDE4B 475/4885PDE4C 891/4885

“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.