SCHEMBL3053152

SCHEMBL3053152

COc1cc2c(N3CCC(Oc4ccccc4C#N)CC3)nncc2c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.54
GPR6 P46095 2/20 0.45
DCK P27707 4/20 0.40
RET P07949 1/20 0.40
SCD O00767 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CHRM4 P08173 2/20 0.39
EGFR P00533 1/20 0.39
FLT1 P17948 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
SCHEMBL3052995 0.89 PDE10A (0.49) PDE10ASCDLMNAKMT2APDE3B
SCHEMBL3052150 0.87 PDE10A (0.59) PDE10AGPR6DCKRETSCD
SCHEMBL3052978 0.86 PDE10A (0.52) PDE10ASCDLMNAKMT2APDE3B
SCHEMBL3057939 0.85 GPR6 (0.43) PDE10AGPR6DCKSCDLMNA
SCHEMBL3053175 0.84 LMNA (0.44) PDE10AGPR6LMNAKMT2APDE3B
SCHEMBL3060696 0.81 TGFBR1 (0.44) PDE10AGPR6LMNAKMT2APDE3B
SCHEMBL3062929 0.81 CHRM4 (0.43) PDE10AGPR6SCDLMNAKMT2A
SCHEMBL3049166 0.81 GPR6 (0.45) PDE10AGPR6LMNAKMT2APDE3B
SCHEMBL3055244 0.79 PDE3B (0.41) PDE10AGPR6LMNAKMT2APDE3B
SCHEMBL3062047 0.78 PDE3B (0.41) PDE10AGPR6RETSCDLMNA

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 6/4885GPR6 2466/4885DCK 539/4885

“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.