SCHEMBL5864694

SCHEMBL5864694

CC(C)Cn1c(=O)[nH]c(=O)c2cc(Cc3cccc4ccccc34)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
CAMK2B Q13554 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
DAO P14920 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
IDH1 O75874 1/20 0.38
AGTR1 P30556 1/20 0.38
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 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
SCHEMBL5864692 0.81 SLC16A1 (0.56) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL6027770 0.68 SMN1; SMN2 (0.53) CYP2C9DAOALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30704833 0.68 SMN1; SMN2 (0.53) CYP2C9DAOALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5865214 0.67 ALDH1A1 (0.45) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7497166 0.67 SLC16A1 (0.45) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864831 0.67 SLC16A1 (0.58) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864895 0.67 PDE3B (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL8162346 0.67 SLC16A1 (0.44) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL6670689 0.66 ALDH1A1 (0.40) CYP2C9ALDH1A1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL7507593 0.65 DAO (0.53) DAOALDH1A1L3MBTL1TSHR

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 16 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
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 976/4885MAPKAPK2 3712/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS SLC16A1 4637/4885CYP2C9 363/4885MAPKAPK2 2003/4885

“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.