SCHEMBL10239457

SCHEMBL10239457

CCN(CC)P1(=S)OC[C@H]2O[C@@H](n3c(Cl)nc4c(N)ncnc43)C(O)C2O1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.69
▸ PDE4B Q07343 14/20 0.69
▸ PDE4C Q08493 14/20 0.69
▸ PDE4D Q08499 14/20 0.69
▸ RAPGEF3 O95398 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PRKACA P17612 1/20 0.52
▸ PRKACG P22612 1/20 0.52
▸ PRKACB P22694 1/20 0.52
▸ BLM P54132 1/20 0.51

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
SCHEMBL10150552 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL22370441 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL10239448 0.84 KMT2A (0.75) PDE4APDE4BPDE4CPDE4DRAPGEF3
Tocladesine SCHEMBL125595 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
Tocladesine SCHEMBL1651488 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
Tocladesine SCHEMBL29381763 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL14030437 0.77 MEN1 (0.69) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL15906301 0.77 MEN1 (0.69) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL10239454 0.77 KMT2A (0.77) RAPGEF3LMNANPSR1MEN1ALDH1A1
SCHEMBL5150796 0.75 MEN1 (0.69) PDE4APDE4BPDE4CPDE4DRAPGEF3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2017-01-05 — — US disclosed
US-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 — — US disclosed
US-8772474-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-07-08 — — US disclosed
WO-2012088155-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 — — WO 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-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP PDE4A 22/4885PDE4B 28/4885PDE4C 23/4885

“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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