SCHEMBL16214941

SCHEMBL16214941

[N-]=[N+]=N[C@]1(COC(=O)c2ccccc2)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(F)(F)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ HINT1 P49773 3/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ XDH P47989 1/20 0.35
▸ HPRT1 P00492 2/20 0.35
▸ KRAS P01116 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ NT5E P21589 1/20 0.35

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
SCHEMBL16870623 0.92 PNP (0.44) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL18475039 0.80 PNP (0.45) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL16214945 0.79 POLB (0.37) NT5E
SCHEMBL18475067 0.79 PNP (0.44) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL18477849 0.79 PNP (0.44) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL20250997 0.77 TAAR1 (0.45) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL16214171 0.77 ADORA3 (0.47) PNPHINT1HPRT1ADORA3NT5E
SCHEMBL16866666 0.77 ADORA3 (0.42) PNPHINT1TAAR1HPRT1ADORA3
SCHEMBL16214934 0.76 POLB (0.47) NT5E
SCHEMBL16214109 0.76 ADORA3 (0.39) PNPHINT1XDHHPRT1ADORA3

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 5 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-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-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 PNP 1/4885GSK3A 1512/4885RPS6KA3 3590/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR PNP 1/4885GSK3A 1512/4885RPS6KA3 3590/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR PNP 1/4885GSK3A 1512/4885RPS6KA3 3590/4885

“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.

Send feedback