SCHEMBL3055462

SCHEMBL3055462

COc1cc2c(N3CCCC(Cc4cccc(Cl)c4)C3)nncc2c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
ALK Q9UM73 1/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
PRKDC P78527 2/20 0.41
MAOB P27338 3/20 0.41
HTR6 P50406 2/20 0.41
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
PDE5A O76074 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
GBA1 P04062 1/20 0.38
EED O75530 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE3A Q14432 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
SCHEMBL3060492 0.89 PRKDC (0.41) IGF1RALKPRKDCGBA1EED
SCHEMBL3062564 0.88 PDE10A (0.45) IGF1RALKHTR1AHTR7PRKDC
SCHEMBL3064729 0.85 PRKDC (0.43) HTR1AHTR7PRKDCGBA1ADRA1D
SCHEMBL3042952 0.83 PRKDC (0.42) HTR1AHTR7PRKDCGBA1ADRA1D
SCHEMBL3056948 0.82 PDE3A (0.41) HTR1AHTR7PRKDCGBA1PDE10A
SCHEMBL3060684 0.81 PDE3A (0.43) HTR1AHTR7PRKDCADRA1DADRA1A
SCHEMBL3059838 0.79 MEN1 (0.50) LMNATHRBMEN1KMT2A
SCHEMBL3062448 0.79 PDE3A (0.47) PRKDCPDE10APDE3A
SCHEMBL3049156 0.79 POLB (0.40) HTR1AHTR7PDE10APDE3A
SCHEMBL3055964 0.78 CHRM2 (0.39) MAOBHTR6LMNAPDE10APDE3A

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 4 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

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 IGF1R 4858/4885ALK 1822/4885HTR1A 547/4885

“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.