SCHEMBL5864752

SCHEMBL5864752

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCC(O)CC3)c(Cc3cccc4ccccc34)sc21

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.76
CYP2C9 P11712 12/20 0.76
CYP3A4 P08684 7/20 0.73
SLC16A7 O60669 1/20 0.71
MAPKAPK2 P49137 1/20 0.59
CAMK2B Q13554 1/20 0.59
HIPK4 Q8NE63 1/20 0.59

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
SCHEMBL5864717 0.95 SLC16A1 (0.83) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL5864658 0.93 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL5864631 0.91 SLC16A1 (0.76) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL7677693 0.91 SLC16A1 (0.76) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL8144478 0.88 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL5864670 0.85 SLC16A1 (0.67) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL5865122 0.85 SLC16A1 (0.66) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL29818663 0.84 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A7
Hydrochloric Acid SCHEMBL30148484 0.83 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL5864659 0.80 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2

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 18 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-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease ASTRAZENECA AB. 2002-12-05 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
EP-0991653-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-04-12 EP claimed
WO-1998054190-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 WO 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
EP-0991653-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-04-12 EP 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 (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 3396/4885CYP2C9 976/4885CYP3A4 325/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS SLC16A1 4637/4885CYP2C9 363/4885CYP3A4 256/4885

“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.