SCHEMBL16373883

SCHEMBL16373883

[N-]=[N+]=N[C@]1(CI)O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](F)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ P2RY6 Q15077 7/20 0.45
▸ P2RY14 Q15391 2/20 0.45
▸ NT5E P21589 1/20 0.45
▸ ABL1 P00519 1/20 0.43
▸ RIN1 Q13671 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.34
▸ P2RY4 P51582 6/20 0.32
▸ P2RY2 P41231 5/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ST6GAL1 P15907 1/20 0.31

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
SCHEMBL16377131 0.92 POLB (0.47) POLBP2RY6P2RY14NT5EABL1
SCHEMBL15281846 0.92 POLB (0.47) POLBP2RY6P2RY14NT5EABL1
SCHEMBL15281834 0.89 P2RY6 (0.48) POLBP2RY6P2RY14NT5EABL1
SCHEMBL15281849 0.89 P2RY6 (0.48) POLBP2RY6P2RY14NT5EABL1
SCHEMBL16214125 0.88 P2RY6 (0.45) POLBP2RY6P2RY14NT5EABL1
SCHEMBL22364089 0.83 POLB (0.53) POLBP2RY6P2RY14NT5EABL1
SCHEMBL15281797 0.83 POLB (0.47) POLBP2RY6P2RY14NT5EABL1
SCHEMBL16214935 0.83 POLB (0.49) POLBP2RY6P2RY14NT5EABL1
SCHEMBL16214939 0.83 POLB (0.47) POLBP2RY6P2RY14NT5EABL1
SCHEMBL15386764 0.82 POLB (0.35) POLBP2RY6P2RY14NT5EP2RY12

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-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2016-11-17 — — US disclosed
US-9441007-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2016-09-13 — — US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 — — US disclosed
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-07-02 — — US disclosed
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2015-02-19 — — US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — US disclosed
WO-2014209979-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-12-31 — — 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-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR POLB 502/4885P2RY6 116/4885P2RY14 125/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR POLB 502/4885P2RY6 116/4885P2RY14 125/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B POLB 473/4885P2RY6 120/4885P2RY14 138/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR POLB 954/4885P2RY6 100/4885P2RY14 106/4885

“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.

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