SCHEMBL3056642

SCHEMBL3056642

COc1cc2c(N3CCCC(c4nnc(C)o4)C3)nncc2c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.40
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PDE10A Q9Y233 3/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HSD11B1 P28845 1/20 0.34
HPGD P15428 1/20 0.33
PRKDC P78527 1/20 0.33
TSHR P16473 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL3055966 0.92 PDE3A (0.41) PDE3ALRRK2ALDH1A1LMNAPDE10A
SCHEMBL3059863 0.87 PDE3A (0.38) PDE3AALDH1A1LMNAPDE10ATLR9
SCHEMBL3059501 0.86 PDE10A (0.48) PDE3ALRRK2PDE10ATLR9TLR8
SCHEMBL3056060 0.86 PDE3A (0.37) PDE3AALDH1A1LMNAPDE10ATLR9
SCHEMBL3047030 0.85 PRKDC (0.46) PDE3AALDH1A1LMNAPDE10AHPGD
SCHEMBL3059655 0.83 MAP4K4 (0.41) PDE3ALRRK2ALDH1A1LMNAPDE10A
SCHEMBL3059818 0.82 PRKDC (0.49) PDE3AALDH1A1LMNAPDE10APRKDC
SCHEMBL3057226 0.81 PDE3A (0.58) PDE3AALDH1A1PDE10APRKDCBTK
SCHEMBL3056007 0.81 ALDH1A1 (0.43) PDE3AALDH1A1LMNAPDE10AHPGD
SCHEMBL3053157 0.81 ALDH1A1 (0.43) PDE3AALDH1A1LMNAPDE10AHPGD

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 5/4885LRRK2 883/4885ALDH1A1 997/4885

“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.