SCHEMBL22734115

SCHEMBL22734115

[O-][S+]1CCc2nc(Cl)nc(NC3CCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ PDE4A P27815 1/20 0.34
▸ ADORA3 P0DMS8 10/20 0.33
▸ ADORA1 P30542 8/20 0.33
▸ ADORA2A P29274 6/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ ADORA2B P29275 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
SCHEMBL22734104 0.97 KMT2A (0.40) KMT2APDE4AADORA3ADORA1ADORA2A
SCHEMBL22734105 0.96 KMT2A (0.43) KMT2APDE4AADORA3ADORA1ADORA2A
SCHEMBL15976749 0.94 KMT2A (0.33) KMT2AADORA3ADORA1ADORA2A
SCHEMBL31474619 0.88 ADORA3 (0.32) KMT2AADORA3ADORA1ADORA2AADORA2B
SCHEMBL20840622 0.88 MAPK1 (0.35) KMT2AADORA3
SCHEMBL516176 0.88 MAPK1 (0.35) KMT2AADORA3
SCHEMBL20851935 0.88 MAPK1 (0.35) KMT2AADORA3
SCHEMBL30785572 0.85 GLP1R (0.32) —
SCHEMBL22734110 0.84 — —
SCHEMBL31491372 0.84 CHRM3 (0.33) KMT2APDE4AADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724195-B1 SUBSTITUTED TETRAHYDROPYRAN DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION THERAPEUTICS AS (DK) 2023-12-27 — — EP disclosed
US-11299497-B2 Substituted tetrahydropyran dihydrothienopyrimidines and their use as phosphodiesterase inhibitors UNION therapeutics A/S (DK) 2022-04-12 — — US disclosed
US-20200385400-A1 SUBSTITUTED TETRAHYDROPYRAN DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2020-12-10 — — 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-11299497-B2 Substituted tetrahydropyran dihydrothienopyrimidines and their use as phosphodiesterase inhibitors PDE5A, PDE4A, PDE7A KMT2A 2875/4885PDE4A 2/4885ADORA3 1539/4885
US-20200385400-A1 SUBSTITUTED TETRAHYDROPYRAN DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE5A, PDE4A, PDE7A KMT2A 2875/4885PDE4A 2/4885ADORA3 1539/4885

“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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