SCHEMBL6726548

SCHEMBL6726548

CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)csc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 5/20 0.45
PDE1B Q01064 5/20 0.45
PDE1C Q14123 5/20 0.45
PDE2A O00408 4/20 0.45
PDE5A O76074 2/20 0.45
CFTR P13569 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PDE4A P27815 1/20 0.45
MAPK1 P28482 1/20 0.45
ADORA1 P30542 1/20 0.45
SCN1A P35498 1/20 0.45
PDE6C P51160 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE3A Q14432 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
SCHEMBL7008610 0.81 PDE1A (0.41) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL3833080 0.76 SMN1; SMN2 (0.42) CYP3A4TSHRMAPK1ALDH1A1LMNA
SCHEMBL19759436 0.75 SLC16A1 (0.41) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL3829773 0.75 SLC16A1 (0.39) PDE1APDE1BPDE1CPDE2ACYP3A4
SCHEMBL7007619 0.75 SLC16A1 (0.51) CYP3A4ALDH1A1SLC16A1
SCHEMBL4803164 0.74 SLC16A1 (0.53) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL18097683 0.73 ERCC5 (0.61) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL19759434 0.73 SLC16A1 (0.44) PDE1APDE1BPDE1CPDE2ACYP3A4
SCHEMBL6345596 0.72 PDE1A (0.43) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL5864643 0.72 ERCC1 (0.45) PDE1APDE1BPDE1CPDE2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014634-A1 Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals ASTRAZENECA AB (SE) 2004-01-22 US disclosed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
EP-1280806-A1 THIENO 2,3-d]PYRIMIDINEDIONES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2003-02-05 EP disclosed
WO-2001083489-A1 THIENO[2,3-d]PYRIMIDINEDIONES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-11-08 WO disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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-20040014634-A1 Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals DPYD, TYMP, TYMS PDE1A 2691/4885PDE1B 1866/4885PDE1C 3163/4885

“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.