SCHEMBL15898780

SCHEMBL15898780

C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](CO)O[C@H]1c1scc2c(N)ncnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ ADORA2A P29274 2/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ AHCY P23526 1/20 0.34
▸ ADK P55263 3/20 0.32
▸ PI4KA P42356 2/20 0.32
▸ PI4K2B Q8TCG2 2/20 0.32
▸ PI4K2A Q9BTU6 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ SLC28A1 O00337 1/20 0.31
▸ MAP3K7 O43318 1/20 0.31
▸ SLC28A2 O43868 1/20 0.31
▸ GAPDH P04406 1/20 0.31

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
SCHEMBL15899073 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNATP53HBBADORA2A
SCHEMBL12261248 0.85 ADORA2A (0.40) SMN1; SMN2LMNAADORA2AHIF1AADK
SCHEMBL12261152 0.84 ADORA2A (0.47) SMN1; SMN2ADORA2AHIF1API4KAPI4K2B
SCHEMBL12261214 0.76 PI4KA (0.37) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL12261313 0.72 HIF1A (0.57) SMN1; SMN2LMNATP53HBBADORA2A
SCHEMBL18009714 0.72 PI4KA (0.49) SMN1; SMN2LMNAADORA2AHIF1AALDH1A1
SCHEMBL12261208 0.71 DNPH1 (0.41) SMN1; SMN2ADORA1
SCHEMBL13471035 0.71 ADORA2A (0.48) SMN1; SMN2LMNATP53HBBADORA2A
SCHEMBL13471043 0.70 POLRMT (0.49) SMN1; SMN2LMNATP53HBBADORA2A
SCHEMBL13471155 0.70 POLRMT (0.49) SMN1; SMN2LMNATP53HBBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156872-B2 2′-azido substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-13 — — US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 — — 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-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 SMN1; SMN2 411/4885LMNA 1948/4885TP53 3703/4885

“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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