SCHEMBL750335

SCHEMBL750335

CC(=O)Nc1nc(NC(C)=O)c2[nH]cnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.55
BRAF P15056 1/20 0.50
NEK2 P51955 1/20 0.46
SRC P12931 3/20 0.46
STAT3 P40763 3/20 0.45
SYK P43405 2/20 0.44
PTK2 Q05397 4/20 0.43
BTK Q06187 4/20 0.43
XDH P47989 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
MAPT P10636 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42

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
SCHEMBL31506448 1.00 GDA (0.55) GDABRAFNEK2SRCSTAT3
SCHEMBL887125 0.84 GDA (0.55) GDABRAFNEK2SRCSTAT3
SCHEMBL16146679 0.84 GDA (0.55) GDABRAFNEK2SRCXDH
SCHEMBL16146528 0.84 GDA (0.55) GDABRAFNEK2SRCXDH
SCHEMBL5694222 0.84 GDA (0.55) GDABRAFNEK2SRCPTK2
SCHEMBL16145715 0.83 GDA (0.54) GDABRAFNEK2SRCXDH
SCHEMBL16146643 0.83 MGMT (0.55) GDABRAF
SCHEMBL5197101 0.83 GDA (0.54) GDABRAFNEK2SRCSTAT3
SCHEMBL16146215 0.83 GDA (0.54) GDABRAFNEK2SRCXDH
SCHEMBL14938904 0.83 GDA (0.54) GDABRAFNEK2SRCXDH

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
EP-2430032-B1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MAN GMBH & CO KG (DE) 2016-02-17 EP disclosed
US-20120220762-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MANAGEMENT GMBH & CO. KG (DE) 2012-08-30 US disclosed
EP-2430032-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE Alcafleu Management GmbH & Co. KG (DE) 2012-03-21 EP disclosed
WO-2010130778-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MANAGEMENT GMBH & CO. KG (DE) 2010-11-18 WO disclosed
CN-1221609-A Pharmaceutical use of adenosine phosphates and pharmaceutical preparation thereof KARL Y HOSTETLER (US) 1999-07-07 CN disclosed
CN-1220605-A Nucleotide analogues for topical treatment of skin cell proliferative disorders KARL Y HOSTETLER (US) 1999-06-23 CN disclosed
EP-0831855-A1 NUCLEOTIDE ANALOGUES FOR TOPICAL TREATMENT OF PROLIFERATIVE DISEASE OF THE SKIN HOSTETLER, Karl Y. (US) 1998-04-01 EP disclosed
US-5654286-A Nucleotides for topical treatment of psoriasis, and methods for using same HOSTETLER KARL Y (US) 1997-08-05 US disclosed
WO-1996040166-A1 NUCLEOTIDE ANALOGUES FOR TOPICAL TREATMENT OF PROLIFERATIVE DISEASE OF THE SKIN HOSTETLER KARL Y (US) 1996-12-19 WO disclosed
EP-0456817-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS INC (US) 1996-01-31 EP disclosed
EP-0456817-A4 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES 1992-04-22 EP disclosed
EP-0456817-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES. ASH STEVENS INC (US) 1991-11-21 EP disclosed
WO-1991008215-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS, INC. (US) 1991-06-13 WO disclosed
US-4883917-A Quaternary ammonium compounds ETHYL CORPORATION (US) 1989-11-28 US disclosed
US-4849423-A Purine derivatives, medicaments containing them and methods of treating cardiac insufficiencies and irregularities with them. SANDOZ LTD. (CH) 1989-07-18 US disclosed
EP-0311108-A2 Anti-HIV active 3'-azido-2,6-diaminopurine-2',3'-dideoxyriboside Stichting REGA V.Z.W. (BE) 1989-04-12 EP disclosed
US-4210745-A Procedure for the preparation of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-07-01 US disclosed
US-4210745-A Procedure for the preparation of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-07-01 US disclosed
US-4188378-A Anticancer and antiviral activity of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-12 US disclosed
US-3992531-A 2-Substituted adenosine-5'-carboxylates in the treatment of anginal pain ABBOTT LABORATORIES (US) 1976-11-16 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 (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-20120220762-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE CD38, FLAD1, GART GDA 193/4885BRAF 286/4885NEK2 781/4885

“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.