SCHEMBL5403546

SCHEMBL5403546

Cn1c(=O)c2c[nH]nc2n(CC2CC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PDE4A P27815 9/20 0.45
PDE4B Q07343 9/20 0.45
PDE4C Q08493 9/20 0.45
PDE4D Q08499 9/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ADORA1 P30542 2/20 0.41
PARG Q86W56 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11193538 0.81 ADORA2A (0.51) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL6992502 0.78 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5410997 0.77 PDE1A (0.55) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL675547 0.77 PDE5A (0.43) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL10988778 0.75 ADORA2A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5407428 0.72 PDE5A (0.45) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL10991845 0.72 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11185750 0.71 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7458328 0.71 ALDH1A1 (0.50) ALDH1A1LMNAPOLBPARGMAPT
SCHEMBL3665761 0.70 HPGD (0.52) ALDH1A1LMNAPOLBADORA2BMAPT

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 4 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

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 PDE5A 933/4885PDE3B 420/4885PDE3A 271/4885

“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.