SCHEMBL16214109

SCHEMBL16214109

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.39
▸ HINT1 P49773 4/20 0.39
▸ HPRT1 P00492 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ PNP P00491 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FUT5 Q11128 1/20 0.36

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 0.90 ADORA3 (0.42) ADORA3HINT1HPRT1NT5EPNP
SCHEMBL16214171 0.84 ADORA3 (0.47) ADORA3HINT1HPRT1NT5EPNP
SCHEMBL18022446 0.80 HINT1 (0.46) ADORA3HINT1NT5E
SCHEMBL18022453 0.80 HINT1 (0.49) ADORA3HINT1NT5E
SCHEMBL16214112 0.77 TYMP (0.35) —
SCHEMBL16214152 0.77 POLG (0.47) HPRT1NT5EPNPFUT5
SCHEMBL16870623 0.76 PNP (0.44) ADORA3HINT1HPRT1XDHNT5E
SCHEMBL18876583 0.76 ADORA3 (0.47) ADORA3HINT1HPRT1NT5EPNP
SCHEMBL16214941 0.76 PNP (0.42) ADORA3HINT1HPRT1XDHNT5E
SCHEMBL16214156 0.75 ADORA3 (0.35) ADORA3HINT1HPRT1NT5E

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 ADORA3 20/4885HINT1 121/4885HPRT1 19/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ADORA3 20/4885HINT1 121/4885HPRT1 19/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR ADORA3 20/4885HINT1 121/4885HPRT1 19/4885

“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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