SCHEMBL16214114

SCHEMBL16214114

CC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.54
▸ ALDH1A1 P00352 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ PI4KA P42356 2/20 0.46
▸ PI4K2B Q8TCG2 2/20 0.46
▸ PI4K2A Q9BTU6 2/20 0.46
▸ PI4KB Q9UBF8 2/20 0.46
▸ EHMT1 Q9H9B1 1/20 0.46
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SLC28A1 O00337 1/20 0.45
▸ MAP3K7 O43318 1/20 0.45
▸ SLC28A2 O43868 1/20 0.45
▸ GAPDH P04406 1/20 0.45

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
SCHEMBL24831397 0.91 AHCY (0.55) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL16214136 0.91 AHCY (0.55) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL17927851 0.91 AHCY (0.55) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL16214128 0.90 AHCY (0.54) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL31725310 0.82 AHCY (0.56) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL17936227 0.82 P2RX1 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL15204057 0.82 AHCY (0.53) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL16214074 0.81 AHCY (0.41) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL16214975 0.81 AHCY (0.44) AHCYALDH1A1HIF1API4KAPI4K2B
SCHEMBL29548998 0.81 AHCY (0.59) AHCYALDH1A1HIF1API4KAPI4K2B

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 AHCY 370/4885ALDH1A1 2053/4885HIF1A 2961/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR AHCY 370/4885ALDH1A1 2053/4885HIF1A 2961/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR AHCY 370/4885ALDH1A1 2053/4885HIF1A 2961/4885

“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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