SCHEMBL22272376

SCHEMBL22272376

O=C(OC1CN(c2nc3c(c(NC4CCOCC4)n2)SCC3)C1)c1cscn1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 13/20 0.57
▸ TNF P01375 9/20 0.54
▸ LRRK2 Q5S007 1/20 0.33
▸ PRKDC P78527 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ KARS1 Q15046 1/20 0.30

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
SCHEMBL22272357 0.88 PDE4D (0.74) PDE4DTNF
SCHEMBL22272374 0.85 PDE4D (0.47) PDE4DTNFLRRK2
SCHEMBL31265262 0.83 PDE4D (0.57) PDE4DTNFLRRK2
SCHEMBL22264678 0.83 PDE4D (0.57) PDE4DTNFLRRK2
SCHEMBL20839527 0.83 PDE4D (0.57) PDE4DTNFLRRK2
SCHEMBL20851945 0.83 PDE4D (0.62) PDE4DTNF
SCHEMBL22272353 0.82 PDE4D (0.67) PDE4DTNFLRRK2
SCHEMBL22272407 0.81 PDE4D (0.62) PDE4DTNFLRRK2BTKKARS1
SCHEMBL26968902 0.77 PDE4D (0.42) PDE4DTNF
SCHEMBL20851820 0.77 PDE4D (0.43) PDE4DTNFBTK

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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