SCHEMBL5864643

SCHEMBL5864643

CC(C)Cn1c(=O)n(C)c(=O)c2ccsc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
PDE1A P54750 8/20 0.43
PDE1B Q01064 8/20 0.43
PDE1C Q14123 8/20 0.43
PDE2A O00408 6/20 0.43
TSHR P16473 2/20 0.43
CFTR P13569 2/20 0.43
PDE5A O76074 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.43
SCN1A P35498 1/20 0.43
PDE6C P51160 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL7856501 0.87 PDE1A (0.37) ERCC1ERCC5FEN1ERCC4PDE1A
SCHEMBL6514929 0.77 ADORA2B (0.40) ERCC1ERCC5FEN1ERCC4CYP1A2
SCHEMBL7008006 0.77 PARG (0.43) ERCC1ERCC5FEN1ERCC4PDE5A
SCHEMBL6636939 0.76 HTR4 (0.39) ERCC1ERCC5FEN1ERCC4CYP1A2
SCHEMBL19759435 0.75 PDE1A (0.46) PDE1APDE1BPDE1CPDE2ATSHR
SCHEMBL6345596 0.74 PDE1A (0.43) PDE1APDE1BPDE1CPDE2ATSHR
SCHEMBL7010765 0.73 SLC16A1 (0.38) PDE1APDE1BPDE1CPDE2ATSHR
SCHEMBL6516737 0.73 ADORA2B (0.44) ERCC1ERCC5FEN1ERCC4PDE4A
SCHEMBL2207892 0.73 HSD17B10 (0.39) ERCC1ERCC5FEN1ERCC4PDE1B
SCHEMBL6670689 0.73 ALDH1A1 (0.40) ERCC1ERCC5FEN1ERCC4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247360-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS The Scripps Research Institute (US) 2017-11-29 EP disclosed
WO-2016118825-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-28 WO disclosed
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-6890923-B2 Compounds ASTRAZENECA AB (SE) 2005-05-10 US disclosed
EP-1280806-B1 THIENO 2,3-d]PYRIMIDINEDIONES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2004-08-04 EP 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-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy ASTRAZENECA AB 2003-10-09 US disclosed
US-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease ASTRAZENECA AB. 2002-12-05 US disclosed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US disclosed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP disclosed
US-6342502-B1 ANTIASTHMATICS ASTRAZENECA AB (GB) 2002-01-29 US 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
US-6180635-B1 NOVEL THIENO(2,3-D)PYRIMIDINEDIONES WHICH EXHIBIT PHARMACOLOGICAL ACTIVITY, IN PARTICULAR IMMUNOSUPPRESSIVE ACTIVITY; TREATING ALLOGRAFT REJECTION ASTRAZENECA UK LIMITED (GB) 2001-01-30 US disclosed
EP-0991653-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-04-12 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed
WO-1998054190-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 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 (4 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 ERCC1 994/4885ERCC5 790/4885FEN1 602/4885
US-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease TPMT, TSLP, TYMP ERCC1 585/4885ERCC5 288/4885FEN1 166/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS ERCC1 557/4885ERCC5 279/4885FEN1 290/4885
US-20040122028-A1 Novel compounds DPYD, TYMS, TYMP ERCC1 287/4885ERCC5 234/4885FEN1 242/4885

“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.