SCHEMBL18480778

SCHEMBL18480778

Nc1nc(N)c2ccc([C@@H]3O[C@H](CO)C(O)C3(F)Cl)n2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ LMNA P02545 4/20 0.31
▸ MTOR P42345 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GMNN O75496 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
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ BLM P54132 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
SCHEMBL18470926 1.00 PDE4D (0.35) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL19632726 0.88 PDE4D (0.32) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL19636526 0.88 PDE4D (0.32) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL19229287 0.86 PDE4D (0.35) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL19229336 0.86 PDE4D (0.35) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL19632930 0.84 PDE4D (0.32) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL19636435 0.84 PDE4D (0.32) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL646125 0.83 ADORA2A (0.39) PDE4DPDE3ASLC29A1LMNAMTOR
SCHEMBL18470925 0.82 POLRMT (0.36) PDE4DPDE3ASLC29A1SMN1; SMN2POLB
SCHEMBL18480780 0.82 POLRMT (0.36) PDE4DPDE3ASLC29A1SMN1; SMN2POLB

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-20170037078-A1 2' -DISUBSTITUTED NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER COCRYSTAL PHARMA, INC. (US) 2017-02-09 — — 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-20170037078-A1 2' -DISUBSTITUTED NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER HAVCR2, HCCS, NAMPT PDE4D 2394/4885PDE3A 2560/4885SLC29A1 7/4885

“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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