SCHEMBL6345596

SCHEMBL6345596

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Br)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 8/20 0.43
PDE1B Q01064 8/20 0.43
PDE1C Q14123 8/20 0.43
PDE2A O00408 5/20 0.43
ALDH1A1 P00352 2/20 0.43
CFTR P13569 2/20 0.41
TSHR P16473 2/20 0.41
PDE5A O76074 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA1 P30542 1/20 0.41
SCN1A P35498 1/20 0.41
PDE6C P51160 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE7A Q13946 1/20 0.41

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
SCHEMBL19759435 0.84 PDE1A (0.46) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7857649 0.82 PDE1A (0.43) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7006341 0.82 PDE1A (0.43) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7014557 0.81 PDE1A (0.42) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5864895 0.77 PDE3B (0.47) CYP3A4PDE3BPDE3ASLC16A1
SCHEMBL7010765 0.76 SLC16A1 (0.38) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5864669 0.76 PDE1B (0.47) PDE1APDE1BPDE1CPDE2ATSHR
SCHEMBL5865238 0.76 SMN1; SMN2 (0.43) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5864833 0.76 SLC16A1 (0.39) PDE1APDE1BPDE1CPDE2ATSHR
SCHEMBL7007286 0.75 PDE1B (0.38) PDE1APDE1BPDE1CPDE2AALDH1A1

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-6890923-B2 Compounds ASTRAZENECA AB (SE) 2005-05-10 US disclosed
US-20040122028-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-24 US disclosed
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
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 (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-20040014634-A1 Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals DPYD, TYMP, TYMS PDE1A 2691/4885PDE1B 1866/4885PDE1C 3163/4885
US-20040122028-A1 Novel compounds DPYD, TYMS, TYMP PDE1A 3225/4885PDE1B 2268/4885PDE1C 3535/4885

“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.