SCHEMBL3056801

SCHEMBL3056801

COc1cc2c(N3CCCC(c4ccncn4)C3)nncc2c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 5/20 0.43
GSK3B P49841 2/20 0.41
MAP4K4 O95819 1/20 0.40
PDE10A Q9Y233 4/20 0.36
PDE3B Q13370 3/20 0.36
KDM5A P29375 1/20 0.35
MAOA P21397 2/20 0.34
BTK Q06187 2/20 0.34
PDE2A O00408 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 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
SCHEMBL3055858 0.89 GSK3B (0.37) PDE3AGSK3BPDE10APDE3BKDM5A
SCHEMBL3053038 0.87 PDE10A (0.49) PDE3AGSK3BMAP4K4PDE10APDE3B
SCHEMBL3058117 0.83 PDE3A (0.40) PDE3AMAP4K4PDE10A
SCHEMBL3057226 0.82 PDE3A (0.58) PDE3APDE10ABTK
SCHEMBL3058176 0.81 PROKR1 (0.50) PDE3AGSK3BPDE10A
SCHEMBL3052037 0.80 PDE3A (0.39) PDE3AMAP4K4PDE10ABTK
SCHEMBL3062448 0.80 PDE3A (0.47) PDE3APDE10A
SCHEMBL3050044 0.79 PDE3A (0.39) PDE3APDE10ABTK
SCHEMBL3055966 0.79 PDE3A (0.41) PDE3APDE10ABTK
SCHEMBL3055919 0.79 PDE3A (0.48) PDE3APDE10ABTK

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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US claimed
EP-1981868-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS Pfizer Products Inc. (US) 2008-10-22 EP claimed
WO-2007085954-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-08-02 WO claimed
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US disclosed
EP-1981868-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS Pfizer Products Inc. (US) 2008-10-22 EP disclosed
WO-2007085954-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-08-02 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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PDE12, PDE5A, PDE2A PDE3A 5/4885GSK3B 377/4885MAP4K4 993/4885

“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.