SCHEMBL2065719

SCHEMBL2065719

CC(C)[C@@H](OCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1N)c1ccc(C#CCNC(=O)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.36
P2RY4 P51582 4/20 0.36
P2RY6 Q15077 4/20 0.36
POLG P54098 1/20 0.35
POLB P06746 1/20 0.35
DNMT1 P26358 2/20 0.33
DTYMK P23919 2/20 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
SCHEMBL15483791 0.93 P2RY2 (0.35) P2RY2P2RY4P2RY6POLGPOLB
SCHEMBL1665882 0.91 P2RY2 (0.38) P2RY2P2RY4P2RY6POLGPOLB
SCHEMBL10178065 0.90 DNMT1 (0.41) DNMT1
SCHEMBL2065398 0.89 TYMS (0.41) POLB
SCHEMBL15483790 0.86 P2RY6 (0.36) P2RY2P2RY4P2RY6POLGPOLB
SCHEMBL15483788 0.85 P2RY2 (0.38) P2RY2P2RY4P2RY6POLGPOLB
SCHEMBL16728023 0.84 P2RY2 (0.42) P2RY2P2RY4P2RY6POLGPOLB
SCHEMBL16728014 0.84 P2RY2 (0.42) P2RY2P2RY4P2RY6POLGPOLB
SCHEMBL16728032 0.84 P2RY2 (0.42) P2RY2P2RY4P2RY6POLGPOLB
SCHEMBL1666267 0.84 P2RY2 (0.42) P2RY2P2RY4P2RY6POLGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-20150140559-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2015-05-21 US disclosed
US-8877905-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2014-11-04 US disclosed
US-20140051848-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2014-02-20 US disclosed
US-8497360-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-07-30 US disclosed
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing AGILENT TECHNOLOGIES, INC. 2013-02-07 US disclosed
US-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 US disclosed
US-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 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 (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-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING UNG, NT5C2, NT5E P2RY2 552/4885P2RY4 314/4885P2RY6 300/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E P2RY2 552/4885P2RY4 314/4885P2RY6 300/4885

“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.