SCHEMBL3058176

SCHEMBL3058176

COc1ccccc1C1CCCN(c2nncc3c(OC)c(OC)c(OC)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.50
PDE3A Q14432 2/20 0.46
GSK3B P49841 1/20 0.43
PDE10A Q9Y233 3/20 0.42
NTSR1 P30989 2/20 0.42
TRPV6 Q9H1D0 1/20 0.38
SLC2A1 P11166 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3057226 0.89 PDE3A (0.58) PROKR1PDE3APDE10ANTSR1
SCHEMBL3059880 0.86 PDE10A (0.57) PROKR1PDE3AGSK3BPDE10ANTSR1
SCHEMBL3051960 0.84 PDE10A (0.51) PDE3APDE10A
SCHEMBL3051143 0.83 PDE3A (0.48) PROKR1PDE3APDE10A
SCHEMBL3055919 0.83 PDE3A (0.48) PROKR1PDE3APDE10A
SCHEMBL3062448 0.83 PDE3A (0.47) PROKR1PDE3APDE10A
SCHEMBL3050044 0.82 PDE3A (0.39) PROKR1PDE3APDE10A
SCHEMBL3055966 0.82 PDE3A (0.41) PROKR1PDE3APDE10AMEN1KMT2A
SCHEMBL3059818 0.82 PRKDC (0.49) PDE3APDE10A
SCHEMBL3042331 0.82 PRKDC (0.47) PDE3APDE10AMEN1KMT2A

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 PROKR1 2749/4885PDE3A 5/4885GSK3B 377/4885

“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.