SCHEMBL3052142

SCHEMBL3052142

COc1cc2cnnc(N3CCC(Cc4ccc(C)cc4)CC3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
NTSR1 P30989 2/20 0.46
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
KIT P10721 2/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
EHMT2 Q96KQ7 2/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.40
ENPP1 P22413 1/20 0.40
DRD4 P21917 1/20 0.39
ABCB1 P08183 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL3056473 0.91 PDE10A (0.46) PDE10ANTSR1ACHEBACE1KIT
SCHEMBL3062856 0.90 PDE10A (0.54) PDE10ANTSR1KITLMNAMAPT
SCHEMBL3064555 0.86 PDE10A (0.45) PDE10ANTSR1KITLMNAKMT2A
SCHEMBL3061987 0.85 ACHE (0.41) NTSR1ACHEBACE1KITLMNA
SCHEMBL3051137 0.84 PDE10A (0.46) PDE10ANTSR1KITLMNAKMT2A
SCHEMBL3042958 0.82 NTSR1 (0.48) PDE10ANTSR1ACHEBACE1LMNA
SCHEMBL3046911 0.81 PDE10A (0.49) PDE10ANTSR1ACHELMNAEHMT2
SCHEMBL11170460 0.80 PDE10A (0.49) PDE10ALMNAKMT2AENPP1
SCHEMBL11177928 0.80 PDE10A (0.47) PDE10ALMNAEHMT2KMT2AENPP1
SCHEMBL3062868 0.79 PDE10A (0.43) PDE10ANTSR1LMNAKMT2AENPP1

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 6/4885NTSR1 2789/4885ACHE 24/4885

“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.