SCHEMBL3056098

SCHEMBL3056098

COc1cc2c(N3CCC(C(O)c4ccccn4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
NEK2 P51955 3/20 0.36
PLK1 P53350 1/20 0.36
NEK1 Q96PY6 1/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
BCHE P06276 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3062196 0.87 PDE10A (0.49) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3051576 0.87 STAT3 (0.43) PDE10ALMNAKMT2ANEK2PLK1
SCHEMBL3056922 0.83 PDE10A (0.37) PDE10APDE3BPDE3ALMNA
SCHEMBL3052033 0.82 PDE10A (0.41) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3055267 0.81 MAPK1 (0.36) PDE10APDE3AKMT2ANEK2PLK1
SCHEMBL3055190 0.79 NTSR1 (0.41) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3056663 0.79 PDE10A (0.42) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3051124 0.77 NTSR1 (0.42) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3052995 0.76 PDE10A (0.49) PDE10APDE3BPDE3ALMNAKMT2A
SCHEMBL3053175 0.75 LMNA (0.44) PDE10APDE3BPDE3ALMNAKMT2A

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 PDE10A 6/4885PDE3B 9/4885PDE3A 5/4885

“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.