SCHEMBL21883535

SCHEMBL21883535

CCOC(=O)c1cnn(-c2nc(OCc3ccccc3)c3ncn(Cc4ccc(S(C)(=O)=O)cc4)c3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
DAPK1 P53355 1/20 0.41
RECQL P46063 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 3/20 0.40
ALKBH1 Q13686 6/20 0.39
ADORA1 P30542 6/20 0.39
ADORA3 P0DMS8 5/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
PTGS2 P35354 2/20 0.35

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
SCHEMBL30496452 1.00 PDE3B (0.45) PDE3BPDE3ADAPK1RECQLMAPK10
SCHEMBL30496472 0.91 DAPK1 (0.44) DAPK1RECQLMAPK10SMN1; SMN2ADORA2A
SCHEMBL21883963 0.91 DAPK1 (0.44) DAPK1RECQLMAPK10SMN1; SMN2ADORA2A
SCHEMBL21883964 0.88 SMN1; SMN2 (0.41) DAPK1RECQLMAPK10SMN1; SMN2ADORA2A
SCHEMBL30496441 0.88 SMN1; SMN2 (0.41) DAPK1RECQLMAPK10SMN1; SMN2ADORA2A
SCHEMBL21883536 0.88 RECQL (0.40) PDE3BPDE3ARECQLMAPK10SMN1; SMN2
SCHEMBL30496471 0.88 RECQL (0.40) PDE3BPDE3ARECQLMAPK10SMN1; SMN2
SCHEMBL23322497 0.86 ALKBH1 (0.40) DAPK1RECQLMAPK10SMN1; SMN2ADORA2A
SCHEMBL30496470 0.86 ALKBH1 (0.40) DAPK1RECQLMAPK10SMN1; SMN2ADORA2A
SCHEMBL21883542 0.82 PPARG (0.40) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12157739-B2 Hypoxanthine compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 2024-12-03 US disclosed
CN-112673008-B Hypoxanthine compounds 橘生药品工业株式会社 2023-07-18 CN disclosed
US-20210214357-A1 HYPOXANTHINE COMPOUNDS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-07-15 US disclosed
US-20210214357-A1 HYPOXANTHINE COMPOUNDS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-07-15 US disclosed
EP-3819299-A1 HYPOXANTHINE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-12 EP disclosed
EP-3819299-A1 HYPOXANTHINE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-12 EP disclosed
CN-112673008-A Hypoxanthine compound 橘生药品工业株式会社 2021-04-16 CN disclosed
WO-2020054825-A1 HYPOXANTHINE COMPOUND キッセイ薬品工業株式会社 2020-03-19 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 (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-12157739-B2 Hypoxanthine compounds HPRT1, APRT, IMPDH1 PDE3B 91/4885PDE3A 98/4885DAPK1 4479/4885
US-20210214357-A1 HYPOXANTHINE COMPOUNDS HPRT1, DHPS, PAH PDE3B 101/4885PDE3A 134/4885DAPK1 4081/4885

“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.