SCHEMBL3059501

SCHEMBL3059501

COc1cc2cnnc(N3CCCC(c4nnc(C)o4)C3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.48
PDE3A Q14432 5/20 0.43
LRRK2 Q5S007 1/20 0.41
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ADRA1D P25100 2/20 0.35
ADRA1B P35368 2/20 0.35
ADRA1A P35348 1/20 0.35
PDE3B Q13370 3/20 0.35
HSD11B1 P28845 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
NTSR1 P30989 1/20 0.34

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
SCHEMBL3051749 0.92 PDE10A (0.50) PDE10APDE3ATLR9TLR8TLR7
SCHEMBL3059879 0.87 PDE10A (0.46) PDE10APDE3ATLR9TLR8TLR7
SCHEMBL3056642 0.86 PDE3A (0.40) PDE10APDE3ALRRK2TLR9TLR8
SCHEMBL3057235 0.85 PRKDC (0.48) PDE10APDE3A
SCHEMBL3062103 0.85 PDE10A (0.44) PDE10APDE3ATLR9TLR8TLR7
SCHEMBL3055275 0.83 PDE10A (0.48) PDE10APDE3AADRA1DADRA1BADRA1A
SCHEMBL3057800 0.82 PDE10A (0.52) PDE10APDE3APDE3BNTSR1
SCHEMBL3057233 0.81 PDE10A (0.46) PDE10APDE3A
SCHEMBL3055282 0.81 PDE10A (0.46) PDE10APDE3APDE3B
SCHEMBL3052396 0.81 PDE10A (0.70) PDE10APDE3ANTSR1

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 5/4885LRRK2 883/4885

“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.