SCHEMBL3837871

SCHEMBL3837871

Nc1nc(CCOCP(=O)(O)O)nc2nc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
GDA Q9Y2T3 1/20 0.43
HPRT1 P00492 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
MGMT P16455 3/20 0.36
FGFR1 P11362 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CDK1 P06493 5/20 0.36
CCNB1 P14635 5/20 0.36
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
CCNA1 P78396 5/20 0.36
DPP4 P27487 1/20 0.35
PIN1 Q13526 1/20 0.35
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
LMNA P02545 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
SCHEMBL29708075 1.00 PDPK1 (0.43) PDPK1GDAHPRT1KDRAURKB
SCHEMBL3839818 0.93 PDPK1 (0.41) PDPK1GDAHPRT1KDRAURKB
SCHEMBL30416490 0.88 PDPK1 (0.41) PDPK1GDAHPRT1KDRAURKB
SCHEMBL8400853 0.83 PDPK1 (0.40) PDPK1GDAKDRAURKBMGMT
SCHEMBL30416185 0.83 PDPK1 (0.49) PDPK1GDAHPRT1KDRAURKB
SCHEMBL30687390 0.82 PDPK1 (0.39) PDPK1GDAKDRAURKBMGMT
SCHEMBL8401394 0.82 PDPK1 (0.38) PDPK1GDAKDRAURKBMGMT
SCHEMBL4364340 0.80 PDPK1 (0.49) PDPK1GDAMGMTCDK1CCNB1
SCHEMBL16038966 0.80 FGFR1 (0.39) HPRT1FGFR1SLC22A6PNP
SCHEMBL7165317 0.80 PDPK1 (0.51) PDPK1GDACDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763424-A SEQUESTERING AGENT GILEAD SCIENCES, INC. (US) 1998-06-09 US claimed
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
EP-1732569-B1 USE OF ADEFOVIR OR TENOFOVIR FOR INHIBITING MMTV-LIKE VIRUSES INVOLVED IN BREAST CANCER AND PRIMARY BILIARY CIRRHOSIS GILEAD SCIENCES INC (US) 2009-10-14 EP disclosed
US-20070281911-A1 Use of Adefovir or Tenofovir for Inhibiting Mmtv-Like Viruses Involved in Breast Cancer and Primary Biliary Cirrhosis GILEAD SCIENCES INC. (US) 2007-12-06 US disclosed
EP-1732569-A1 USE OF ADEFOVIR OR TENOFOVIR FOR INHIBITING MMTV-LIKE VIRUSES INVOLVED IN BREAST CANCER AND PRIMARY BILIARY CIRRHOSIS GILEAD SCIENCES, INC. (US) 2006-12-20 EP disclosed
US-20050239753-A1 Methods of inhibition of MMTV-like viruses GILEAD SCIENCES, INC. 2005-10-27 US disclosed
WO-2005072748-A1 USE OF ADEFOVIR OR TENOFOVIR FOR INHIBITING MMTV-LIKE VIRUSES INVOLVED IN BREAST CANCER AND PRIMARY BILIARY CIRRHOSIS GILEAD SCIENCES, INC. (US) 2005-08-11 WO disclosed
WO-2003028737-A1 ANTI-VIRAL AGENTS AND IN-VITRO METHOD FOR THE IDENTIFICATION OF CANDIDATES ABLE TO INHIBIT BINDING OF POLYMERASE TO EPSILON MITSUBISHI PHARMA CORPORATION (JP) 2003-04-10 WO disclosed
US-5874577-A Method for the preparing 9-12-(Diethoxyphosphonomethoxy)ethyl!adenine and analogues thereof MEDICHEM RESEARCH, INC. (US) 1999-02-23 US disclosed
US-5874577-A Method for the preparing 9-12-(Diethoxyphosphonomethoxy)ethyl!adenine and analogues thereof MEDICHEM RESEARCH, INC. (US) 1999-02-23 US disclosed
US-5763424-A SEQUESTERING AGENT GILEAD SCIENCES, INC. (US) 1998-06-09 US disclosed
WO-1996009307-A1 PURINE AND 8-AZAPURINE DERIVATIVES SUITABLE TO THE THERAPEUTIC TREATMENT OF AIDS ISTITUTO SUPERIORE DI SANITA' (IT) 1996-03-28 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 (6 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-20180064737-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP PDPK1 368/4885GDA 68/4885HPRT1 57/4885
US-20170189430-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP PDPK1 368/4885GDA 68/4885HPRT1 57/4885
US-20140274959-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP PDPK1 368/4885GDA 68/4885HPRT1 57/4885
US-10195222-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP PDPK1 368/4885GDA 68/4885HPRT1 57/4885
US-10076532-B2 Acyclic nucleoside phosphonate diesters NTPCR, PNP, TYMP PDPK1 368/4885GDA 68/4885HPRT1 57/4885
US-20170304330-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP PDPK1 368/4885GDA 68/4885HPRT1 57/4885

“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.