SCHEMBL3064635

SCHEMBL3064635

COc1cc2c(N3CCCC(Oc4ccc(C)cc4)C3)nncc2c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.42
PDE3A Q14432 16/20 0.42
PDE10A Q9Y233 16/20 0.42
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
GBA1 P04062 2/20 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
SCHEMBL3055217 0.94 PDE3B (0.44) PDE3BPDE3APDE10ATGFBR1ACVR1
SCHEMBL3060045 0.91 GBA1 (0.46) PDE3BPDE3APDE10AGBA1
SCHEMBL3052708 0.90 PDE10A (0.43) PDE3BPDE3APDE10AGBA1
SCHEMBL3051960 0.86 PDE10A (0.51) PDE3BPDE3APDE10A
SCHEMBL3051678 0.86 PDE10A (0.48) PDE3BPDE3APDE10A
SCHEMBL3060696 0.82 TGFBR1 (0.44) PDE3BPDE3APDE10ATGFBR1ACVR1
SCHEMBL3051849 0.80 PDE10A (0.52) PDE3BPDE3APDE10A
SCHEMBL3055964 0.79 CHRM2 (0.39) PDE3APDE10A
SCHEMBL3062929 0.79 CHRM4 (0.43) PDE3BPDE3APDE10ATGFBR1ACVR1
SCHEMBL3053175 0.79 LMNA (0.44) PDE3BPDE3APDE10ATGFBR1ACVR1

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

“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.