SCHEMBL1358951

SCHEMBL1358951

Nc1nc(Cl)nc2[nH]cnc12.[KH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.40
XDH P47989 2/20 0.35
DPP4 P27487 1/20 0.34
PDPK1 O15530 1/20 0.32
GDA Q9Y2T3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
POLA1 P09884 1/20 0.31
CFTR P13569 1/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
PTGS1 P23219 1/20 0.30
MAPK3 P27361 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
SCHEMBL30115173 0.98 CDK1 (0.41) CDK1XDHDPP4PDPK1GDA
SCHEMBL29745 0.98 CDK1 (0.41) CDK1XDHDPP4PDPK1GDA
SCHEMBL7521321 0.96 CDK1 (0.40) CDK1XDHDPP4PDPK1GDA
Hydrochloric Acid SCHEMBL28873719 0.96 CDK1 (0.40) CDK1XDHDPP4PDPK1GDA
Purine SCHEMBL8019855 0.83 RPS6KA5 (0.33) CDK1
Cytosine SCHEMBL15271432 0.82 PNP (0.32) CDK1CSNK1A1CLK4PNP
SCHEMBL8719270 0.80 XDH (0.37) XDHDPP4KDM4ECSNK2A1CSNK1A1
SCHEMBL8480942 0.79 XDH (0.41) XDHKDM4ECSNK2A1SMN1; SMN2
SCHEMBL30677300 0.79 XDH (0.41) XDHKDM4ECSNK2A1SMN1; SMN2
SCHEMBL37383 0.78 XDH (0.38) XDHDPP4KDM4ECSNK2A1CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947824-B2 Process for preparing purine nucleosides GENZYME CORPORATION (US) 2011-05-24 US claimed
EP-1412369-B1 PROCESS FOR PREPARING PURINE NUCLEOSIDES ILEX ONCOLOGY INC (US) 2008-05-07 EP claimed
EP-1412369-A2 PROCESS FOR PREPARING PURINE NUCLEOSIDES Ilex Oncology, Inc. (US) 2004-04-28 EP claimed
US-6680382-B2 COUPLING ADENINE DERIVATIVE WITH BLOCKED ARABINOFURANOSYL DERIVATIVE TO FORM 2-CHLORO-9-(2'-DEOXY-2'-FLUORO-B-ARABINOFURANOSYL)ADENINE; ANTICANCER AGENTS; VIRICIDES ILEX PRODUCTS, INC. 2004-01-20 US claimed
US-20030114663-A1 Process for preparing purine nucleosides GENZYME CORPORATION 2003-06-19 US claimed
WO-2003011877-A2 PROCESS FOR PREPARING PURINE NUCLEOSIDES ILEX ONCOLOGY INC. (US) 2003-02-13 WO claimed
US-20130035306-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES GENZYME CORPORATION (US) 2013-02-07 US disclosed
US-20110282045-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES GENZYME CORPORATION 2011-11-17 US disclosed
US-7947824-B2 Process for preparing purine nucleosides GENZYME CORPORATION (US) 2011-05-24 US disclosed
US-20090286971-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES GENZYME CORPORATION 2009-11-19 US disclosed
US-7528247-B2 Process for preparing purine nucleosides GENZYME CORPORATION (US) 2009-05-05 US disclosed
EP-1412369-B1 PROCESS FOR PREPARING PURINE NUCLEOSIDES ILEX ONCOLOGY INC (US) 2008-05-07 EP disclosed
US-20050033043-A1 Reacting a blocked 2-deoxy-alpha-D-arabinofuranosyl halide with the potassium salt of an adenine derivative to form 2-deoxy-beta-D-adenine nucleosides stereoselectively; use making antiviral or anticancer agents GENZYME CORPORATION 2005-02-10 US disclosed
EP-1412369-A2 PROCESS FOR PREPARING PURINE NUCLEOSIDES Ilex Oncology, Inc. (US) 2004-04-28 EP disclosed
US-6680382-B2 COUPLING ADENINE DERIVATIVE WITH BLOCKED ARABINOFURANOSYL DERIVATIVE TO FORM 2-CHLORO-9-(2'-DEOXY-2'-FLUORO-B-ARABINOFURANOSYL)ADENINE; ANTICANCER AGENTS; VIRICIDES ILEX PRODUCTS, INC. 2004-01-20 US disclosed
US-20030114663-A1 Process for preparing purine nucleosides GENZYME CORPORATION 2003-06-19 US disclosed
WO-2003011877-A2 PROCESS FOR PREPARING PURINE NUCLEOSIDES ILEX ONCOLOGY INC. (US) 2003-02-13 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 (5 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-20050033043-A1 Reacting a blocked 2-deoxy-alpha-D-arabinofuranosyl halide with the potassium salt of an adenine derivative to form 2-deoxy-beta-D-adenine nucleosides stereoselectively; use making antiviral or anticancer agents SAMHD1, DCTD, DUT CDK1 2971/4885XDH 733/4885DPP4 356/4885
US-20130035306-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES SAMHD1, APRT, DCTD CDK1 2384/4885XDH 736/4885DPP4 981/4885
US-20030114663-A1 Process for preparing purine nucleosides SAMHD1, APRT, NUDT1 CDK1 2463/4885XDH 822/4885DPP4 917/4885
US-20110282045-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES PNP, SAMHD1, NUDT1 CDK1 2547/4885XDH 155/4885DPP4 354/4885
US-20090286971-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES PNP, SAMHD1, NUDT1 CDK1 2547/4885XDH 155/4885DPP4 354/4885

“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.