SCHEMBL16214171

SCHEMBL16214171

[N-]=[N+]=N[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(F)(F)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.47
▸ PNP P00491 3/20 0.41
▸ NT5E P21589 1/20 0.41
▸ TK1 P04183 2/20 0.40
▸ HPRT1 P00492 2/20 0.40
▸ HINT1 P49773 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16866666 0.92 ADORA3 (0.42) ADORA3PNPNT5EHPRT1HINT1
SCHEMBL16214156 0.89 ADORA3 (0.35) ADORA3NT5EHPRT1HINT1
SCHEMBL16214152 0.85 POLG (0.47) PNPNT5EHPRT1POLB
SCHEMBL16870623 0.84 PNP (0.44) ADORA3PNPNT5EHPRT1HINT1
SCHEMBL16214109 0.84 ADORA3 (0.39) ADORA3PNPNT5EHPRT1HINT1
SCHEMBL18876583 0.83 ADORA3 (0.47) ADORA3PNPNT5ETK1HPRT1
SCHEMBL31228276 0.83 ADORA3 (0.53) ADORA3PNPNT5ETK1HINT1
SCHEMBL16858614 0.83 ADORA3 (0.48) ADORA3NT5EHINT1
SCHEMBL18072191 0.83 ADORA3 (0.48) ADORA3NT5EHINT1
SCHEMBL16214090 0.83 ADORA3 (0.48) ADORA3NT5EHINT1

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
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 — — US disclosed
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 — — 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-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 — — US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 — — US disclosed
WO-2012040124-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 — — WO disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — 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-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ADORA3 20/4885PNP 1/4885NT5E 15/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ADORA3 20/4885PNP 1/4885NT5E 15/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ADORA3 20/4885PNP 1/4885NT5E 15/4885

“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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