SCHEMBL2519583

SCHEMBL2519583

CC(=O)n1c([Si](C)(C)C)c([Si](C)(C)C)c(N)nc1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.32
MAP3K14 Q99558 1/20 0.32

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
SCHEMBL9736359 0.73
SCHEMBL4727065 0.67 NOTUM (0.30)
SCHEMBL8610716 0.67 MAPK1 (0.38)
SCHEMBL5694237 0.57 EP300 (0.34) IKBKBMAP3K14
SCHEMBL28449256 0.56 SMN1; SMN2 (0.34)
SCHEMBL5694084 0.55 DNMT1 (0.37) IKBKBMAP3K14
SCHEMBL3302482 0.55 POLB (0.40)
SCHEMBL31661211 0.50 MAPK1 (0.40)
Acetone SCHEMBL28276755 0.50 LMNA (0.52) IKBKBMAP3K14
Acetic Acid SCHEMBL9194364 0.48 CYP1A2 (0.52) IKBKBMAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931693-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2008-06-18 EP claimed
WO-2007027564-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-03-08 WO claimed
EP-2752422-B1 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2017-08-16 EP disclosed
WO-2016097989-A1 PROCESS FOR THE PREPARATION OF GEMCITABINE HYDROCHLORIDE KARIMIAN KHASHAYAR (IR) 2016-06-23 WO disclosed
US-8859756-B2 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2014-10-14 US disclosed
EP-2552931-B1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES GILEAD PHARMASSET LLC (US) 2014-07-23 EP disclosed
EP-2752422-A1 Stereoselective synthesis of phosphorus containing actives Gilead Pharmasset LLC (US) 2014-07-09 EP disclosed
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 US disclosed
US-20080249119-A1 Nucleosiding a protected cytosine with a protected hexose, deprotecting to obtain gemcitabine; administering as produgs; cancers of the lungs, ovaries, pancreas and bladder; cost efficiency; simplification PHARMACON-FORSCHUNG UND BERATUNG GMBH (AT) 2008-10-09 US disclosed
EP-1931693-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2008-06-18 EP disclosed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US disclosed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO disclosed
WO-2007027564-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-03-08 WO disclosed
WO-2007015257-A2 A PROCESS FOR THE PREPARATION OF GEMCITABINE USING NOVEL INTERMEDIATES HETERO DRUGS LIMITED (IN) 2007-02-08 WO disclosed
WO-2005095430-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF HIGH PURE GEMCITABINE HYDROCHLORIDE POLTURI RAMESH BABU (IN) 2005-10-13 WO disclosed
WO-2003059334-A2 GEMCITABINE IN THE TREATMENT OF SMALLPOX ELI LILLY AND COMPANY (US) 2003-07-24 WO disclosed
US-5118820-A Carbohydrate is chemical intermediate for nucleoside ELI LILLY AND COMPANY (US) 1992-06-02 US disclosed
US-5015743-A 2-Deoxy-2,2-difluororibose ELI LILLY AND COMPANY (US) 1991-05-14 US disclosed
US-4808614-A Difluoro antivirals and intermediate therefor ELI LILLY AND COMPANY (US) 1989-02-28 US disclosed
US-4692434-A NUCLEOSIDES ELI LILLY AND COMPANY (US) 1987-09-08 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 (3 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-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 IKBKB 2680/4885MAP3K14 2763/4885
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PPA1, ENPP1, ITPA IKBKB 2697/4885MAP3K14 2606/4885
US-20080249119-A1 Nucleosiding a protected cytosine with a protected hexose, deprotecting to obtain gemcitabine; administering as produgs; cancers of the lungs, ovaries, pancreas and bladder; cost efficiency; simplification TYMP, DUT, OGG1 IKBKB 1461/4885MAP3K14 2525/4885

“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.