SCHEMBL3055858

SCHEMBL3055858

COc1cc2c(N3CCC(c4ccncn4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
MAOA P21397 2/20 0.37
PDE10A Q9Y233 5/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
NEK2 P51955 3/20 0.36
PLK1 P53350 1/20 0.36
NEK1 Q96PY6 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC9A1 P19634 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ENPP1 P22413 1/20 0.34
NTSR1 P30989 1/20 0.34
KDM5A P29375 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL3056801 0.89 PDE3A (0.43) GSK3BMAOAPDE10APDE3BPDE3A
SCHEMBL3052033 0.87 PDE10A (0.41) PDE10APDE3BPDE3ANEK2PLK1
SCHEMBL3049868 0.86 LMNA (0.42) MAOAPDE10APDE3BPDE3ANEK2
SCHEMBL3052286 0.86 PDE10A (0.48) GSK3BPDE10APDE3BPDE3ALMNA
SCHEMBL3062890 0.85 NEK2 (0.38) MAOAPDE10ANEK2PLK1NEK1
SCHEMBL3052165 0.84 NTSR1 (0.41) PDE10ANEK2PLK1NEK1LMNA
SCHEMBL3051161 0.83 LMNA (0.39) PDE10ANEK2PLK1NEK1LMNA
SCHEMBL3055190 0.82 NTSR1 (0.41) PDE10APDE3BPDE3ANEK2PLK1
SCHEMBL3049822 0.81 NEK2 (0.36) GSK3BPDE10ANEK2PLK1NEK1
SCHEMBL3062904 0.79 PDE10A (0.37) MAOAPDE10ANEK2PLK1NEK1

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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US 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 GSK3B 377/4885MAOA 59/4885PDE10A 6/4885

“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.