SCHEMBL19636529

SCHEMBL19636529

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.32
▸ ADK P55263 3/20 0.32
▸ SLC29A1 Q99808 2/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ HSPA5 P11021 1/20 0.31
▸ HSPA8 P11142 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ DNMT1 P26358 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ HBB P68871 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
SCHEMBL19632962 1.00 ADORA2A (0.32) ADORA2AADKSLC29A1PDE4DPDE3A
SCHEMBL19632941 0.90 SLC29A1 (0.31) ADORA2ASLC29A1PDE4DPDE3ALMNA
SCHEMBL19636530 0.90 SLC29A1 (0.31) ADORA2ASLC29A1PDE4DPDE3ALMNA
SCHEMBL19229338 0.89 PDE4D (0.34) ADORA2AADKSLC29A1PDE4DPDE3A
SCHEMBL19229290 0.89 PDE4D (0.34) ADORA2AADKSLC29A1PDE4DPDE3A
SCHEMBL882508 0.87 ADORA2A (0.35) ADORA2AADKSLC29A1PDE4DPDE3A
SCHEMBL10186054 0.87 ADORA2A (0.35) ADORA2AADKSLC29A1PDE4DPDE3A
SCHEMBL19632929 0.86 ADORA2A (0.34) ADORA2AADKSLC29A1PDE4DPDE3A
SCHEMBL19636519 0.86 ADORA2A (0.34) ADORA2AADKSLC29A1PDE4DPDE3A
SCHEMBL12253815 0.85 ADORA2A (0.42) ADORA2ASLC29A1PDE4DPDE3AHSPA5

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 ADORA2A 139/4885ADK 220/4885SLC29A1 28/4885

“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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