SCHEMBL3055452

SCHEMBL3055452

COc1ccc(C2CC(O)CN(c3nncc4cc(OC)c(OC)cc34)C2)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.83
PROKR1 Q8TCW9 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3A Q14432 3/20 0.35
PDE3B Q13370 2/20 0.35
SOS1 Q07889 2/20 0.34
ACACB O00763 1/20 0.34
TRPC6 Q9Y210 3/20 0.33
FLT1 P17948 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL5243898 0.82 PDE10A (0.83) PDE10APROKR1PDE3A
SCHEMBL5244219 0.78 PDE10A (0.83) PDE10APDE3APDE3B
SCHEMBL11307305 0.74 PDE10A (0.59) PDE10AKDM4EMEN1KMT2AALDH1A1
SCHEMBL3062116 0.74 PDE10A (0.49) PDE10AKMT2APDE3APDE3BLMNA
SCHEMBL5242335 0.74 PDE10A (0.61) PDE10AKDM4EKMT2APDE3APDE3B
SCHEMBL3060185 0.73 PDE10A (0.56) PDE10APROKR1PDE3AFLT1
SCHEMBL5243269 0.73 PDE10A (0.57) PDE10AKDM4EKMT2APDE3APDE3B
SCHEMBL3052396 0.73 PDE10A (0.70) PDE10AKDM4EKMT2APDE3ASOS1
SCHEMBL3051849 0.72 PDE10A (0.52) PDE10APDE3APDE3B
SCHEMBL3056641 0.72 PDE10A (0.57) PDE10APROKR1PDE3A

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 6/4885PROKR1 2749/4885KDM4E 878/4885

“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.