SCHEMBL3735338

SCHEMBL3735338

COc1ccc(C(O[Si](C)(C)C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
LDHA P00338 1/20 0.41
AKR1C3 P42330 5/20 0.41
AKR1C2 P52895 5/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 3/20 0.41
CYP1A2 P05177 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL9298556 0.88 NPSR1 (0.44) NPSR1CYP1A2TSHRALDH1A1MAPT
SCHEMBL7567010 0.84 ATM (0.42) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL3232420 0.84 ATM (0.42) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL8405171 0.84 ATM (0.42) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL7570004 0.83 PPARG (0.44) CYP1A2MAPTPOLBMEN1KMT2A
SCHEMBL730392 0.79 PRSS1 (0.38) TSHRALDH1A1MAPTKDM4ECA1
SCHEMBL11517879 0.78 NPSR1 (0.49) NPSR1LDHAAKR1C3AKR1C2PTGS2
SCHEMBL3829660 0.77 LDHA (0.52) NPSR1LDHAAKR1C3AKR1C2PTGS2
SCHEMBL17295985 0.77 LDHA (0.52) NPSR1LDHAAKR1C3AKR1C2PTGS2
SCHEMBL17295989 0.77 LDHA (0.52) NPSR1LDHAAKR1C3AKR1C2PTGS2

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-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-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 (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-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH NPSR1 782/4885LDHA 685/4885AKR1C3 1361/4885
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 NPSR1 706/4885LDHA 1100/4885AKR1C3 1234/4885

“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.