SCHEMBL3052033

SCHEMBL3052033

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
DPP4 P27487 1/20 0.40
LMNA P02545 2/20 0.40
NTSR1 P30989 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
NEK2 P51955 3/20 0.37
PLK1 P53350 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
SCHEMBL3055190 0.87 NTSR1 (0.41) PDE10APDE3BPDE3ALMNANTSR1
SCHEMBL3055858 0.87 GSK3B (0.37) PDE10APDE3BPDE3ALMNANTSR1
SCHEMBL3042943 0.85 PDE10A (0.53) PDE10APDE3BPDE3ADPP4LMNA
SCHEMBL3062890 0.84 NEK2 (0.38) PDE10ALMNANTSR1KDM4EALDH1A1
SCHEMBL3052165 0.83 NTSR1 (0.41) PDE10ALMNANTSR1KDM4EALDH1A1
SCHEMBL3049868 0.83 LMNA (0.42) PDE10APDE3BPDE3ALMNANTSR1
SCHEMBL3049941 0.82 NTSR1 (0.45) PDE10ALMNANTSR1ALDH1A1KMT2A
SCHEMBL3051161 0.82 LMNA (0.39) PDE10ALMNANTSR1KMT2ANEK2
SCHEMBL3056663 0.82 PDE10A (0.42) PDE10APDE3BPDE3ALMNANTSR1
SCHEMBL3056098 0.82 PDE10A (0.38) PDE10APDE3BPDE3ALMNANTSR1

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.