SCHEMBL888156

SCHEMBL888156

Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](COCc2ccccc2[N+](=O)[O-])O1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ENPP1 P22413 3/20 0.48
P2RY1 P47900 2/20 0.48
P2RX3 P56373 7/20 0.46
P2RX4 Q99571 6/20 0.46
P2RX7 Q99572 1/20 0.46
P2RX2 Q9UBL9 4/20 0.46
P2RX1 P51575 4/20 0.46
P2RY2 P41231 2/20 0.45
P2RY12 Q9H244 1/20 0.45
RNASEL Q05823 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL888149 0.89 POLB (0.45) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL21564046 0.89 P2RX3 (0.53) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL30848930 0.89 P2RX3 (0.53) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL888089 0.89 P2RX3 (0.53) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL14665951 0.89 P2RX3 (0.53) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL888262 0.89 P2RX3 (0.53) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL888142 0.88 POLB (0.44) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL1140532 0.87 P2RY12 (0.54) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL888084 0.85 POLB (0.47) POLBENPP1P2RY1P2RX3P2RX4
SCHEMBL888141 0.85 ENPP1 (0.58) POLBENPP1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125856-B1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2016-09-14 EP disclosed
US-8969535-B2 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-03-03 US disclosed
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-03-21 US disclosed
US-8361727-B2 3′OH-unblocked, nucleotides and nucleosides base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-01-29 US disclosed
US-20110287427-A1 3'OH-UNBLOCKED, NUCLEOTIDES AND NUCLEOSIDES BASE MODIFIED WITH LABELS AND PHOTOCLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2011-11-24 US disclosed
US-7964352-B2 3′-OH unblocked nucleotides and nucleosides, base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2011-06-21 US disclosed
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 US disclosed
US-20090081686-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing AGILENT TECHNOLOGIES, INC. 2008-06-05 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-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing UNG, DCLRE1B, NT5C3B POLB 28/4885ENPP1 170/4885P2RY1 873/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 POLB 29/4885ENPP1 154/4885P2RY1 793/4885

“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.