SCHEMBL5405559

SCHEMBL5405559

CC(C)Cn1c(=O)n(CCO)c(=O)c2c(-c3cccn3C)n(Cc3csc4ccccc34)nc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 2/20 0.37
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC16A1 P53985 2/20 0.32
CTSG P08311 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
CAMK2B Q13554 1/20 0.31
HIPK4 Q8NE63 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL5398847 0.91 CMA1 (0.35) CMA1ALDH1A1HPGDADORA2AADORA2B
SCHEMBL5404342 0.90 PDE1A (0.38) CMA1ALDH1A1HPGDSLC16A1
SCHEMBL5402616 0.89 CHRNA7 (0.40) CMA1ALDH1A1SMN1; SMN2HSD17B10CYP2C9
SCHEMBL5405106 0.89 CMA1 (0.33) CMA1ALDH1A1HPGDADORA2AADORA2B
SCHEMBL14371112 0.88 ADORA3 (0.34) CMA1ALDH1A1HPGD
SCHEMBL5408136 0.88 CMA1 (0.33) CMA1ALDH1A1HPGDSLC16A1
SCHEMBL5419593 0.88 ALDH1A1 (0.38) CMA1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL14371142 0.88 TSHR (0.34) CMA1SMN1; SMN2TSHR
SCHEMBL5405148 0.88 ALDH1A1 (0.33) CMA1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL6654458 0.86 ADORA2B (0.34) CMA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 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 (1 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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC CMA1 3176/4885ALDH1A1 903/4885HPGD 18/4885

“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.