SCHEMBL3056948

SCHEMBL3056948

COc1cc2c(N3CCCC(Cc4ccccn4)C3)nncc2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.41
PDE3B Q13370 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PRKDC P78527 1/20 0.40
HTR1A P08908 3/20 0.39
HTR7 P34969 2/20 0.39
ALDH1A1 P00352 2/20 0.39
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
POLB P06746 1/20 0.36
GBA1 P04062 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3042952 0.89 PRKDC (0.42) PDE3APDE3BPDE10APRKDCHTR1A
SCHEMBL3055995 0.87 PDE10A (0.48) PDE3APDE3BPDE10APRKDCHTR1A
SCHEMBL3060684 0.84 PDE3A (0.43) PDE3APDE3BPDE10APRKDCHTR1A
SCHEMBL3061087 0.83 CHRNB2 (0.43) PDE3APDE3BPDE10APRKDCHTR1A
SCHEMBL3055239 0.82 SYK (0.39) PDE3APDE3BPDE10AHTR1AHTR7
SCHEMBL3060492 0.82 PRKDC (0.41) PDE3APDE10APRKDCGBA1RAB9A
SCHEMBL3049156 0.82 POLB (0.40) PDE3APDE3BPDE10AHTR1AHTR7
SCHEMBL3055462 0.82 IGF1R (0.42) PDE3APDE10APRKDCHTR1AHTR7
SCHEMBL3064729 0.81 PRKDC (0.43) PDE3APDE10APRKDCHTR1AHTR7
SCHEMBL3056663 0.81 PDE10A (0.42) PDE3APDE3BPDE10AHTR1AHTR7

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 PDE3A 5/4885PDE3B 9/4885PDE10A 6/4885

“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.