SCHEMBL135689

SCHEMBL135689

Nc1nc(I)c2nc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.52
PDPK1 O15530 1/20 0.37
GDA Q9Y2T3 1/20 0.37
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAP3K5 Q99683 1/20 0.33
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPK3 P27361 1/20 0.31
XDH P47989 1/20 0.31
HBB P68871 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PNP P00491 1/20 0.31
CDK1 P06493 1/20 0.30

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
Tetrabuthylammonium SCHEMBL200611 0.82 CDK1 (0.39) CDK2PDPK1XDHCDK1CCNB1
SCHEMBL532460 0.79 CSNK2A1 (0.39) CDK2CSNK2A1CSNK2A2ALDH1A1TP53
2,6-Diaminopurine SCHEMBL24052 0.79 GDA (0.48) CDK2PDPK1GDADPP4ALDH1A1
2,6-Diaminopurine SCHEMBL29444619 0.79 GDA (0.48) CDK2PDPK1GDADPP4ALDH1A1
2,6-Diaminopurine SCHEMBL8757968 0.78 GDA (0.47) CDK2PDPK1GDADPP4ALDH1A1
2,6-Diaminopurine SCHEMBL6423146 0.78 GDA (0.47) CDK2PDPK1GDADPP4ALDH1A1
SCHEMBL20093433 0.77 CDK2 (0.37) CDK2PDPK1GDADPP4ALDH1A1
6-Chloroguanine SCHEMBL6711 0.76 DPP4 (0.52) CDK2PDPK1GDACSNK2A1DPP4
Thioguanine SCHEMBL218891 0.76 PDPK1 (0.37) CDK2PDPK1GDADPP4ALDH1A1
SCHEMBL2938699 0.76 PDPK1 (0.37) CDK2PDPK1GDADPP4ALDH1A1

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 241 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4560315-A2 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP claimed
EP-3980554-B1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES HOFFMANN LA ROCHE (CH) 2025-03-26 EP claimed
US-20220195497-A1 HYBRIDIZING all-LNA OLIGONUCLEOTIDES ROCHE DIAGNOSTICS OPERATIONS, INC. 2022-06-23 US claimed
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 EP claimed
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 CN claimed
WO-2020245377-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-12-10 WO claimed
WO-2013090873-A1 A COMPOSITION AND METHOD FOR REDUCING CYANURIC ACID IN RECREATIONAL WATER HAVILAND PRODUCTS COMPANY (US) 2013-06-20 WO claimed
US-20100286084-A1 Oligomer-Nucleoside Phosphate Conjugates NEKTAR THERAPEUTICS (US) 2010-11-11 US claimed
EP-0861841-B1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS COMPANY (JP) 2001-04-04 EP claimed
US-5994541-A Process for producing 2-amino-6-iodopurine SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-11-30 US claimed
US-5817799-A 2'-Fluorofuranosyl derivatives and methods for preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-10-06 US claimed
EP-0861841-A1 PROCESS FOR PRODUCING 2-AMINO-6-IODOPURINE SUMIKA FINE CHEMICALS Company, Limited (JP) 1998-09-02 EP claimed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 EP claimed
EP-0540686-A4 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1993-05-26 EP claimed
EP-0540686-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES. US COMMERCE (US) 1993-05-12 EP claimed
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 WO claimed
JP-11060575-A None JP disclosed
JP-6206879-A None JP disclosed
CN-1031233-A Antiviral compound WELLCOME FOUND (GB) 1989-02-22 CN disclosed
EP-0294114-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 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 (1 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-20100286084-A1 Oligomer-Nucleoside Phosphate Conjugates ENTPD5, SLC29A2, SLC29A1 CDK2 1128/4885PDPK1 2582/4885GDA 701/4885

“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.