SCHEMBL216787

SCHEMBL216787

Nc1nc2nc[nH]c2c(=O)n1CCOCP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.44
PDE4A P27815 7/20 0.42
PDE4B Q07343 7/20 0.42
PDE4C Q08493 7/20 0.42
PDE4D Q08499 7/20 0.42
ADORA2A P29274 4/20 0.42
ADORA2B P29275 4/20 0.42
FGFR1 P11362 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
TYMP P19971 1/20 0.37
POLB P06746 2/20 0.36
POLA1 P09884 1/20 0.35
POLG P54098 1/20 0.35
PNP P00491 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
SCHEMBL2346363 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL15545146 0.83 HPRT1 (0.42) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL6836084 0.83 HPRT1 (0.35) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL5302969 0.81 HPRT1 (0.44) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL8397617 0.80 HPRT1 (0.47) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL9170817 0.79 HPRT1 (0.43) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL27842808 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL16020626 0.77 HPRT1 (0.43) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL8921064 0.76 ADORA2B (0.35) HPRT1PDE4APDE4BPDE4CPDE4D
SCHEMBL667797 0.76 PDE4A (0.60) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195222-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-05 US disclosed
US-10076532-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-18 US disclosed
US-20180064737-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS UNIV CALIFORNIA (US) 2018-03-08 US disclosed
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 US disclosed
US-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-07-06 US disclosed
US-9629860-B2 Acyclic nucleoside phosphonate diesters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 US disclosed
US-20140274959-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2014-09-18 US disclosed
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
EP-2204374-B1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES INC (US) 2012-06-13 EP disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
EP-1716162-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2006-11-02 EP disclosed
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-03-02 US disclosed
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-02-09 US disclosed
US-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005066189-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2005-07-21 WO disclosed
US-5696263-A Antiviral acyclic phosphonomethoxyalkylsubstituted alkenyl and alkynyl purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-12-09 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 (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-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 HPRT1 2536/4885PDE4A 3444/4885PDE4B 3343/4885
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof HCCS, RCOR3, MSRB3 HPRT1 2952/4885PDE4A 3300/4885PDE4B 3293/4885
US-20180064737-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP HPRT1 57/4885PDE4A 476/4885PDE4B 547/4885
US-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP HPRT1 57/4885PDE4A 476/4885PDE4B 547/4885
US-20140274959-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP HPRT1 57/4885PDE4A 476/4885PDE4B 547/4885
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 HPRT1 2556/4885PDE4A 3696/4885PDE4B 3525/4885
US-10195222-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP HPRT1 57/4885PDE4A 476/4885PDE4B 547/4885
US-10076532-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP HPRT1 57/4885PDE4A 476/4885PDE4B 547/4885
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP HPRT1 57/4885PDE4A 476/4885PDE4B 547/4885
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 HPRT1 2481/4885PDE4A 3607/4885PDE4B 3422/4885

“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.