SCHEMBL19632929

SCHEMBL19632929

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.34
▸ PDE4D Q08499 3/20 0.31
▸ PDE3A Q14432 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ PNP P00491 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HSPA8 P11142 2/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ HSPA5 P11021 1/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ SLC28A2 O43868 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NFKB1 P19838 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
SCHEMBL19636519 1.00 ADORA2A (0.34) ADORA2APDE4DPDE3ALMNATP53
SCHEMBL19636516 0.90 ADORA2A (0.32) ADORA2APDE4DPDE3ALMNATP53
SCHEMBL19632890 0.90 ADORA2A (0.32) ADORA2APDE4DPDE3ALMNATP53
SCHEMBL19636529 0.86 ADORA2A (0.32) ADORA2APDE4DPDE3ALMNATP53
SCHEMBL19632962 0.86 ADORA2A (0.32) ADORA2APDE4DPDE3ALMNATP53
SCHEMBL12253815 0.85 ADORA2A (0.42) ADORA2APDE4DPDE3AHSPA8SLC29A1
SCHEMBL19229290 0.84 PDE4D (0.34) ADORA2APDE4DPDE3ALMNAHSPA8
SCHEMBL882508 0.84 ADORA2A (0.35) ADORA2APDE4DPDE3ALMNAHSPA8
SCHEMBL10186054 0.84 ADORA2A (0.35) ADORA2APDE4DPDE3ALMNAHSPA8
SCHEMBL19229338 0.84 PDE4D (0.34) ADORA2APDE4DPDE3ALMNAHSPA8

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-20170334941-A1 2',2'-DIHALO NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER EMORY UNIVERSITY 2017-11-23 — — US disclosed
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 139/4885PDE4D 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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