SCHEMBL5402794

SCHEMBL5402794

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cc(F)cc(F)c3)nc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.41
PDE1A P54750 5/20 0.41
PDE1C Q14123 5/20 0.41
RIPK3 Q9Y572 1/20 0.38
ADORA1 P30542 2/20 0.37
TSHR P16473 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
PDE2A O00408 4/20 0.36
PDE4D Q08499 2/20 0.36
PDE5A O76074 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5419589 0.87 PDE1A (0.52) PDE1BPDE1APDE1CADORA1ADORA3
SCHEMBL5402553 0.84 PDE1A (0.41) PDE1BPDE1APDE1CADORA1TSHR
SCHEMBL5403451 0.84 PDE1A (0.44) PDE1BPDE1APDE1CALDH1A1PDE2A
SCHEMBL5393375 0.84 KMT2A (0.46) PDE1BPDE1APDE1CADORA1TSHR
SCHEMBL5400574 0.84 ADORA2B (0.48) PDE1BPDE1APDE1CADORA1TSHR
SCHEMBL5399629 0.82 PDE1A (0.38) PDE1BPDE1APDE1CRIPK3ADORA1
SCHEMBL5404652 0.82 RIPK3 (0.41) PDE1BPDE1APDE1CRIPK3PDE5A
SCHEMBL5407727 0.82 PDE1A (0.45) PDE1BPDE1APDE1CTSHRALDH1A1
SCHEMBL5393363 0.82 PDE1A (0.40) PDE1BPDE1APDE1CALDH1A1PDE2A
SCHEMBL5415082 0.82 SLC16A1 (0.36) PDE1BPDE1APDE1CRIPK3TSHR

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 2 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-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 PDE1B 4206/4885PDE1A 4056/4885PDE1C 4660/4885

“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.