SCHEMBL5234629

SCHEMBL5234629

CC(C)c1nn(C)c(=O)c2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.42
ADORA3 P0DMS8 2/20 0.40
NR1D1 P20393 2/20 0.39
ADORA2A P29274 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 3/20 0.36
TBXAS1 P24557 1/20 0.35
PDE7A Q13946 2/20 0.34
KAT2B Q92831 2/20 0.34
CYP2D6 P10635 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE7B Q9NP56 1/20 0.33

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
SCHEMBL27277637 0.83 ADORA1 (0.56) ADORA1ADORA3ADORA2ASMN1; SMN2HRH3
SCHEMBL5235398 0.77 PDE7A (0.43) ADORA1ADORA3NR1D1ADORA2AHRH3
SCHEMBL5237026 0.74 ADORA1 (0.46) ADORA1ADORA3NR1D1ADORA2ALMNA
SCHEMBL5321396 0.73 ADORA1 (0.39) ADORA1ADORA3NR1D1ADORA2ASMN1; SMN2
SCHEMBL25077760 0.73 ADORA1 (0.50) ADORA1ADORA3ADORA2ASMN1; SMN2HRH3
SCHEMBL18346735 0.73 LMNA (0.60) LMNASMN1; SMN2TBXAS1KAT2BCYP2D6
SCHEMBL5231932 0.72 LMNA (0.35) LMNASMN1; SMN2KAT2BCYP2D6
SCHEMBL16046329 0.71 ADORA1 (0.52) ADORA1ADORA3NR1D1ADORA2AHRH3
SCHEMBL24322161 0.70 ERCC5 (0.36) LMNASMN1; SMN2KAT2B
SCHEMBL13641556 0.69 ADORA1 (0.41) ADORA1ADORA3ADORA2ASMN1; SMN2PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587809-B1 THIENOPYRIDAZINONE DERIVATIVE AS MODULATORS OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2007-10-10 EP disclosed
US-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB, A SWEDEN CORPORATION 2006-10-05 US disclosed
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB (SE) 2006-03-09 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-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ADORA1 446/4885ADORA3 387/4885NR1D1 1211/4885
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ADORA1 446/4885ADORA3 387/4885NR1D1 1211/4885

“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.