SCHEMBL16214156

SCHEMBL16214156

Cc1nc2c(ncn2[C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)C2(F)F)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ IMPDH2 P12268 6/20 0.33
▸ IMPDH1 P20839 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ HINT1 P49773 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ ADORA1 P30542 1/20 0.30
▸ HPRT1 P00492 1/20 0.30

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
SCHEMBL16214171 0.89 ADORA3 (0.47) ADORA3HINT1NT5EHPRT1
SCHEMBL16866666 0.83 ADORA3 (0.42) ADORA3HINT1NT5EHPRT1
SCHEMBL15070832 0.79 ADORA3 (0.37) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL18022452 0.79 HPGD (0.39) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL18022450 0.78 HPGD (0.42) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL15837496 0.76 ADORA3 (0.39) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL15837259 0.76 ADORA3 (0.39) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL16214187 0.75 CYP3A4 (0.46) IMPDH2TAS1R3TAS1R1
SCHEMBL16214152 0.75 POLG (0.47) NT5EHPRT1
SCHEMBL16214109 0.75 ADORA3 (0.39) ADORA3HINT1NT5EHPRT1

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 4 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

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-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ADORA3 20/4885HPGD 1203/4885IMPDH2 91/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ADORA3 20/4885HPGD 1203/4885IMPDH2 91/4885

“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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