SCHEMBL2283594

SCHEMBL2283594

O=C(NCCOCC#CCc1cn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.39
TYMS P04818 2/20 0.38
DNPH1 O43598 1/20 0.37

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
SCHEMBL2281293 0.93 POLB (0.41) TK1TYMS
SCHEMBL2276807 0.89 LMNA (0.34) TK1
SCHEMBL14217397 0.88 TK1 (0.33) TK1
SCHEMBL12373094 0.87 TOP2A (0.36)
SCHEMBL2282272 0.85 BCHE (0.32)
SCHEMBL6528397 0.84 BCHE (0.31) TK1
SCHEMBL12373098 0.83
SCHEMBL2282315 0.79 POLB (0.39) TK1
SCHEMBL2281348 0.78 POLB (0.46) TK1
SCHEMBL24922883 0.77 LMNA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
US-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods Life Technologies Corporation (US) 2012-12-06 US disclosed
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed
US-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS Life Technologies Corporation (US) 2010-05-06 US disclosed
US-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS Life Technologies Corporation (US) 2010-05-06 US disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-20050214843-A1 Pyrimidine nucleobases APPLERA CORPORATION (US) 2005-09-29 US disclosed
US-20050170388-A1 Pyrimidine nucleobases APPLERA CORPORATION (US) 2005-08-04 US disclosed
WO-2005063787-A2 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS APPLERA CORPORATION (US) 2005-07-14 WO disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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 (4 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-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS PNP, NT5C3B, NUDT1 TK1 342/4885TYMS 20/4885DNPH1 221/4885
US-20050170388-A1 Pyrimidine nucleobases DPYD, PNP, UMPS TK1 123/4885TYMS 4/4885DNPH1 290/4885
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT TK1 85/4885TYMS 33/4885DNPH1 170/4885
US-20050214843-A1 Pyrimidine nucleobases DPYD, PNP, UMPS TK1 123/4885TYMS 4/4885DNPH1 290/4885

“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.