SCHEMBL5151085

SCHEMBL5151085

NCCCCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@@H]2COP(O)(=S)O[C@H]2[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PDE4A P27815 12/20 0.57
▸ PDE4B Q07343 12/20 0.57
▸ PDE4C Q08493 12/20 0.57
▸ PDE4D Q08499 12/20 0.57
▸ RAPGEF3 O95398 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ STING1 Q86WV6 2/20 0.49

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
SCHEMBL5154471 0.94 MEN1 (0.61) MEN1ALDH1A1KMT2APDE4APDE4B
SCHEMBL5151089 0.93 PDE4A (0.59) MEN1ALDH1A1KMT2APDE4APDE4B
SCHEMBL29829593 0.91 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL21581235 0.91 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL15906301 0.81 MEN1 (0.69) MEN1ALDH1A1KMT2APDE4APDE4B
SCHEMBL5150796 0.81 MEN1 (0.69) MEN1ALDH1A1KMT2APDE4APDE4B
SCHEMBL14030437 0.81 MEN1 (0.69) MEN1ALDH1A1KMT2APDE4APDE4B
SCHEMBL15626122 0.81 FBP1 (0.46) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL29379210 0.80 PDE4A (0.79) MEN1ALDH1A1KMT2APDE4APDE4B
SCHEMBL29358957 0.80 PDE4A (0.79) MEN1ALDH1A1KMT2APDE4APDE4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265223-A1 COMPOSITIONS AND METHODS OF ENHANCING SURVIVABILITY AND REDUCING INJURY OF CELLS, TISSUES, ORGANS, AND ORGANISMS UNDER HYPOXIC OR ISCHEMIC CONDITIONS IKARIA, INC. (US) 2007-11-15 — — 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 (1 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-20070265223-A1 COMPOSITIONS AND METHODS OF ENHANCING SURVIVABILITY AND REDUCING INJURY OF CELLS, TISSUES, ORGANS, AND ORGANISMS UNDER HYPOXIC OR ISCHEMIC CONDITIONS ADORA2A, ADORA2B, ADORA1 MEN1 4450/4885ALDH1A1 400/4885KMT2A 3573/4885

“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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