SCHEMBL10150532

SCHEMBL10150532

Nc1ccnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)(SCc3ccc([N+](=O)[O-])cc3)OC2C1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.56
▸ PDE4B Q07343 13/20 0.56
▸ PDE4C Q08493 13/20 0.56
▸ PDE4D Q08499 13/20 0.56
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ RAPGEF3 O95398 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ BLM P54132 2/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL10239769 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL13320207 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL10150531 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL13300474 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL13320177 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL10150528 0.73 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL10150530 0.71 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL10239775 0.70 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL14261185 0.69 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL10150537 0.69 STING1 (0.51) PDE4APDE4BPDE4CPDE4D

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 5 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-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2014-10-09 — — US disclosed
US-8772474-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-07-08 — — US disclosed
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 — — 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 (3 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-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP PDE4A 22/4885PDE4B 28/4885PDE4C 23/4885
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP PDE4A 22/4885PDE4B 28/4885PDE4C 23/4885
US-20120165286-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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