SCHEMBL1336875

SCHEMBL1336875

Nc1nc(F)c2[nH]cnc2n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
GDA Q9Y2T3 1/20 0.66
CDK2 P24941 11/20 0.61
DPP4 P27487 1/20 0.61
MAP3K5 Q99683 1/20 0.56
CDK1 P06493 11/20 0.51
CCNB1 P14635 11/20 0.51
CCNA2 P20248 10/20 0.51
CCNA1 P78396 10/20 0.51
BRAF P15056 2/20 0.49
MGMT P16455 4/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
PIN1 Q13526 1/20 0.49
HRH4 Q9H3N8 1/20 0.47

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
2,6-Diaminopurine SCHEMBL24053 0.79 PDPK1 (1.00) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL2526552 0.79 PDPK1 (0.44) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL8757979 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL28206545 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
2,6-Diaminopurine SCHEMBL27891733 0.78 PDPK1 (0.96) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL2867588 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
Thioguanine SCHEMBL183648 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL355362 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL135690 0.76 CDK2 (1.00) PDPK1GDACDK2DPP4MAP3K5
6-Chloroguanine SCHEMBL64059 0.76 DPP4 (1.00) PDPK1GDACDK2DPP4MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490368-B1 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2011-08-03 EP claimed
US-7393855-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrimidines as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-07-01 US claimed
EP-1490368-A4 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2006-07-19 EP claimed
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents WAYNE STATE UNIVERSITY (US) 2005-05-26 US claimed
EP-1490368-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS Wayne State University (US) 2004-12-29 EP claimed
WO-2003104440-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY (US) 2003-12-18 WO 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-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
US-20220033432-A1 ANTI-HEPATITIS B VIRUS AGENT DAIKIN INDUSTRIES, LTD. (JP) 2022-02-03 US disclosed
EP-3939655-A1 ANTI-HEPATITIS B VIRUS AGENT DAIKIN INDUSTRIES, LTD. (JP) 2022-01-19 EP disclosed
WO-2020184677-A1 ANTI-HEPATITIS B VIRUS AGENT ダイキン工業株式会社 2020-09-17 WO disclosed
CN-1738829-B New 2',5'-oligoadenylic acid analog SANKYO CO 2012-11-28 CN disclosed
WO-2003104440-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY (US) 2003-12-18 WO disclosed
WO-2003104440-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY (US) 2003-12-18 WO disclosed
EP-0544668-A1 -6-FLUORO-9-(2,3-DIDEOXY-B-D-GLYCERO-PENTOFURANOSYL)-9H-PURINES AND THEIR USE ASANTIVIRAL AGENTS THE UNITED STATES OF AMERICA as represented by the Secretary UNITED STATES DEPARTMENT OF COMMERCE (US) 1993-06-09 EP disclosed
EP-0544668-A4 6-HALO- AND 2-AMINO-6-HALO-PURINE 2',3'-DIDEOXY NUCLEOSIDES AND THEIR USE AS ANTIVIRAL AGENTS. US SECRETARY UNITED STATES DEP (JP) 1993-03-03 EP disclosed
WO-1991012260-A1 6-HALO- AND 2-AMINO-6-HALO-PURINE 2',3'-DIDEOXY NUCLEOSIDES AND THEIR USE AS ANTIVIRAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1991-08-22 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 (2 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-20220033432-A1 ANTI-HEPATITIS B VIRUS AGENT SLC10A1, HAVCR2, FABP1 PDPK1 4788/4885GDA 397/4885CDK2 1288/4885
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents TPMT, HPRT1, MTAP PDPK1 3602/4885GDA 76/4885CDK2 566/4885

“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.