SCHEMBL3057534

SCHEMBL3057534

COc1cc2cnnc(N3CCCC(COc4cccnc4N)C3)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.44
PDE3A Q14432 8/20 0.42
PDE3B Q13370 7/20 0.42
ADRA1D P25100 2/20 0.40
ADRA1B P35368 2/20 0.40
ADRA1A P35348 1/20 0.40
HTR1A P08908 3/20 0.40
KIT P10721 3/20 0.39
HTR7 P34969 2/20 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
SCHEMBL3057225 0.90 PDE10A (0.45) PDE10APDE3APDE3BHTR1AKIT
SCHEMBL3055239 0.88 SYK (0.39) PDE10APDE3APDE3BHTR1AKIT
SCHEMBL3055287 0.85 PDE10A (0.48) PDE10APDE3APDE3BHTR1AKIT
SCHEMBL3055913 0.84 PDE10A (0.52) PDE10APDE3APDE3BHTR1AKIT
SCHEMBL3059794 0.84 PDE10A (0.44) PDE10APDE3APDE3BKIT
SCHEMBL3062048 0.83 PDE10A (0.46) PDE10APDE3APDE3BHTR1AHTR7
SCHEMBL3057891 0.83 PDE10A (0.44) PDE10APDE3APDE3BHTR1AKIT
SCHEMBL3055995 0.82 PDE10A (0.48) PDE10APDE3APDE3BHTR1AHTR7
SCHEMBL11171157 0.80 PDE10A (0.53) PDE10APDE3AADRA1DADRA1BADRA1A
SCHEMBL3061087 0.78 CHRNB2 (0.43) PDE10APDE3APDE3BHTR1AKIT

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 6/4885PDE3A 5/4885PDE3B 9/4885

“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.