SCHEMBL3046911

SCHEMBL3046911

COc1cc2cnnc(N3CCC(Cc4ccccc4F)CC3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
NTSR1 P30989 3/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ENPP1 P22413 2/20 0.41
AURKA O14965 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
GRIN2B Q13224 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
GRM2 Q14416 2/20 0.40
GPR6 P46095 1/20 0.40
FLT1 P17948 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL3062856 0.86 PDE10A (0.54) PDE10ALMNAKMT2ANTSR1SLC6A4
SCHEMBL3056812 0.86 EHMT2 (0.40) LMNAKMT2AEHMT2NTSR1BCHE
SCHEMBL3056473 0.84 PDE10A (0.46) PDE10AEHMT2NTSR1ACHEENPP1
SCHEMBL3046918 0.83 PDE10A (0.53) PDE10ALMNAKMT2ANTSR1FLT1
SCHEMBL3051976 0.83 PDE10A (0.51) PDE10ALMNAKMT2ANTSR1PDE3B
SCHEMBL3042958 0.82 NTSR1 (0.48) PDE10ALMNAKMT2ANTSR1ACHE
SCHEMBL3052142 0.81 PDE10A (0.46) PDE10ALMNAKMT2AEHMT2NTSR1
SCHEMBL3051137 0.80 PDE10A (0.46) PDE10ALMNAKMT2ANTSR1ENPP1
SCHEMBL3064555 0.80 PDE10A (0.45) PDE10ALMNAKMT2ANTSR1ENPP1
SCHEMBL3055287 0.80 PDE10A (0.48) PDE10APDE3BPDE3AHTR1A

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 6/4885LMNA 4217/4885KMT2A 1399/4885

“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.