SCHEMBL22272374

SCHEMBL22272374

O=C(OC1CN(c2nc3c(c(NC4CCOCC4)n2)SCC3)C1)c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 13/20 0.47
▸ TNF P01375 9/20 0.41
▸ LRRK2 Q5S007 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.31
▸ IRAK4 Q9NWZ3 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
SCHEMBL22272376 0.85 PDE4D (0.57) PDE4DTNFLRRK2
SCHEMBL22272353 0.82 PDE4D (0.67) PDE4DTNFLRRK2
SCHEMBL22272407 0.81 PDE4D (0.62) PDE4DTNFLRRK2
SCHEMBL26968902 0.77 PDE4D (0.42) PDE4DTNFEGLN1
SCHEMBL20851820 0.77 PDE4D (0.43) PDE4DTNF
SCHEMBL21061347 0.76 PDE4D (0.46) PDE4DTNFEGLN1
SCHEMBL26968848 0.76 PDE4D (0.51) PDE4DTNF
SCHEMBL24519364 0.75 PDE4D (0.74) PDE4DTNF
SCHEMBL22272357 0.73 PDE4D (0.74) PDE4DTNF
SCHEMBL22272409 0.73 TNF (0.71) PDE4DTNF

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-11365204-B2 Substituted dihydrothienopyrimidines and their use as phosphodiesterase inhibitors UNION therapeutics A/S (DK) 2022-06-21 — — US disclosed
US-20200239493-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2020-07-30 — — 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 (2 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-20200239493-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE7A, PDE12 PDE4D 11/4885TNF 969/4885LRRK2 1913/4885
US-11365204-B2 Substituted dihydrothienopyrimidines and their use as phosphodiesterase inhibitors PDE4A, PDE7A, PDE12 PDE4D 11/4885TNF 969/4885LRRK2 1913/4885

“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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