SCHEMBL21061348

SCHEMBL21061348

O=C(O)N1CCC[C@@H](Nc2nc(Cl)nc3c2SCC3)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ GFER P55789 2/20 0.34
▸ JAK2 O60674 5/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ JAK1 P23458 1/20 0.33

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
SCHEMBL23068541 1.00 JAK3 (0.36) JAK3TDP1EGFRITKGFER
SCHEMBL23068542 1.00 JAK3 (0.36) JAK3TDP1EGFRITKGFER
SCHEMBL23068546 0.93 KMT2A (0.33) JAK3TDP1EGFRJAK2ADORA3
SCHEMBL21061357 0.93 KMT2A (0.33) JAK3TDP1EGFRJAK2ADORA3
SCHEMBL23068547 0.93 KMT2A (0.33) JAK3TDP1EGFRJAK2ADORA3
SCHEMBL21098279 0.89 JAK3 (0.41) JAK3TDP1EGFRGFERJAK2
SCHEMBL21098275 0.89 JAK3 (0.41) JAK3TDP1EGFRGFERJAK2
SCHEMBL23084452 0.89 JAK3 (0.41) JAK3TDP1EGFRGFERJAK2
SCHEMBL29489171 0.89 JAK3 (0.41) JAK3TDP1EGFRGFERJAK2
SCHEMBL29489168 0.89 JAK3 (0.41) JAK3TDP1EGFRGFERJAK2

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
EP-3724194-B1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION THERAPEUTICS AS (DK) 2023-12-27 — — EP disclosed
US-20210070769-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2021-03-11 — — US disclosed
EP-3724194-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2020-10-21 — — EP disclosed
WO-2019115774-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2019-06-20 — — 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-20210070769-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE2A, PDE5A, PDE3A JAK3 2612/4885TDP1 46/4885EGFR 4629/4885

“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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