SCHEMBL3055920

SCHEMBL3055920

COc1cc2cnnc(N3CCCC(Cc4cncnc4)C3)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.45
PDE10A Q9Y233 10/20 0.44
PDE3A Q14432 10/20 0.39
GBA1 P04062 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 8/20 0.37
ENPP1 P22413 2/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL3064555 0.88 PDE10A (0.45) PDE10APDE3APDE4APDE4BPDE4C
SCHEMBL3064729 0.86 PRKDC (0.43) PRKDCPDE10APDE3AGBA1ENPP1
SCHEMBL11171157 0.84 PDE10A (0.53) PDE10APDE3APDE4APDE4BPDE4C
SCHEMBL3062048 0.84 PDE10A (0.46) PRKDCPDE10APDE3APDE3BHTR1A
SCHEMBL3062564 0.84 PDE10A (0.45) PRKDCPDE10APDE3AGBA1PDE4A
SCHEMBL3052724 0.84 PDE10A (0.47) PRKDCPDE10APDE3AGBA1PDE3B
SCHEMBL3055995 0.81 PDE10A (0.48) PRKDCPDE10APDE3APDE3BHTR1A
SCHEMBL3055913 0.79 PDE10A (0.52) PDE10APDE3APDE3BHTR1AHTR7
SCHEMBL3057891 0.78 PDE10A (0.44) PDE10APDE3APDE3BHTR1A
SCHEMBL11163914 0.77 PDE10A (0.44) PDE10AENPP1

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 PRKDC 1357/4885PDE10A 6/4885PDE3A 5/4885

“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.