SCHEMBL19636530

SCHEMBL19636530

Nc1nc(O)c2ncc([C@@H]3O[C@H](CO)C(O)C3(Br)Br)n2n1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ GMNN O75496 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ DNMT1 P26358 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ HBB P68871 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ ADORA2A P29274 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
SCHEMBL19632941 1.00 SLC29A1 (0.31) SLC29A1PDE4DPDE3AGMNNALDH1A1
SCHEMBL19632962 0.90 ADORA2A (0.32) SLC29A1PDE4DPDE3AGMNNALDH1A1
SCHEMBL19636529 0.90 ADORA2A (0.32) SLC29A1PDE4DPDE3AGMNNALDH1A1
SCHEMBL19229337 0.89 PDE4D (0.34) SLC29A1PDE4DPDE3A
SCHEMBL19229291 0.89 PDE4D (0.34) SLC29A1PDE4DPDE3A
SCHEMBL19636516 0.87 ADORA2A (0.32) SLC29A1PDE4DPDE3AGMNNALDH1A1
SCHEMBL19632890 0.87 ADORA2A (0.32) SLC29A1PDE4DPDE3AGMNNALDH1A1
SCHEMBL18480783 0.86 PDE4D (0.34) SLC29A1PDE4DPDE3AADORA2A
SCHEMBL18470929 0.86 PDE4D (0.34) SLC29A1PDE4DPDE3AADORA2A
SCHEMBL19636434 0.84 PDE4D (0.32) SLC29A1PDE4DPDE3A

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-20170334941-A1 2',2'-DIHALO NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER EMORY UNIVERSITY 2017-11-23 — — 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-20170334941-A1 2',2'-DIHALO NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER HAVCR2, DERA, EIF2AK2 SLC29A1 28/4885PDE4D 2437/4885PDE3A 3345/4885

“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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