SCHEMBL1536744

SCHEMBL1536744

CCOC(=O)c1[nH]ccc1NCc1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SLC26A6 Q9BXS9 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ASPH Q12797 1/20 0.45

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
SCHEMBL1536712 0.85 MAPT (0.53) MAPTHTTLMNANPC1MEN1
SCHEMBL27708738 0.85 KDM4E (0.54) MAPTHTTNPC1SMN1; SMN2MEN1
SCHEMBL30601243 0.84 CD38 (0.41) MAPTHTTLMNATP53MEN1
SCHEMBL30601234 0.84 CD38 (0.41) MAPTHTTLMNATP53MEN1
SCHEMBL1536687 0.84 SMN1; SMN2 (0.51) MAPTLMNANPC1SMN1; SMN2MEN1
SCHEMBL30601246 0.81 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL30601271 0.81 ASPH (0.44) LMNAGAAALOX15ALDH1A1KDM4E
SCHEMBL1536721 0.79 PKM (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL30601261 0.79 GAA (0.44) MAPTHTTLMNASMN1; SMN2MEN1
SCHEMBL1536635 0.78 MAPT (0.41) MAPTHTTLMNATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580429-B2 Pyrrolo[3,2-D]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2017-02-28 — — US disclosed
US-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2015-04-09 — — US disclosed
US-8859568-B2 Pyrrolo[3,2-D]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2014-10-14 — — US disclosed
EP-1824855-B1 Novel pyrrolo [3, 2-d]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2012-08-08 — — EP disclosed
US-20110059996-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-7829707-B2 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one ASTRAZENECA AB (SE) 2010-11-09 — — US disclosed
US-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one ASTRAZENECA AB (SE) 2008-09-11 — — US disclosed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 — — EP disclosed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 — — 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 (3 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-20110059996-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH MAPT 4038/4885HTT 3303/4885LMNA 2324/4885
US-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH MAPT 4038/4885HTT 3280/4885LMNA 2133/4885
US-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one MPO, EPX, SERPINB1 MAPT 3973/4885HTT 3873/4885LMNA 3162/4885

“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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