SCHEMBL5864656

SCHEMBL5864656

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3cnc4ccccc4c3)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 9/20 0.41
PDE1A P54750 4/20 0.40
PDE1B Q01064 4/20 0.40
PDE1C Q14123 4/20 0.40
PDE2A O00408 3/20 0.40
CYP2C9 P11712 6/20 0.40
MAPKAPK2 P49137 1/20 0.40
CAMK2B Q13554 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
PIK3CD O00329 2/20 0.39
CYP3A4 P08684 4/20 0.39
SLC16A7 O60669 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5865049 0.88 SLC16A1 (0.41) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5865248 0.84 PDE1A (0.41) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864730 0.83 LMNA (0.43) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864884 0.81 SLC16A1 (0.49) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7005464 0.81 MAPK1 (0.44) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7010147 0.81 ALDH1A1 (0.44) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7004534 0.81 PDE1A (0.41) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7009074 0.81 TSHR (0.39) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7006816 0.80 SLC16A1 (0.42) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864781 0.80 SLC16A1 (0.47) SLC16A1PDE1APDE1BPDE1CPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US claimed
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy ASTRAZENECA AB 2003-10-09 US claimed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US claimed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP claimed
US-6342502-B1 ANTIASTHMATICS ASTRAZENECA AB (GB) 2002-01-29 US claimed
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 claimed
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US 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-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

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-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease TPMT, TSLP, TYMP SLC16A1 3396/4885PDE1A 4396/4885PDE1B 4172/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS SLC16A1 4637/4885PDE1A 3774/4885PDE1B 3035/4885

“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.