SCHEMBL3059655

SCHEMBL3059655

COc1cc2c(N3CCCC(c4noc(C)n4)C3)nncc2c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PDE3A Q14432 2/20 0.37
PDE10A Q9Y233 1/20 0.36
ADORA2A P29274 5/20 0.34
USP30 Q70CQ3 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL3055275 0.88 PDE10A (0.48) MAP4K4ALDH1A1PDE3APDE10AADORA2A
SCHEMBL3047030 0.85 PRKDC (0.46) MAP4K4ALDH1A1LMNAPDE3APDE10A
SCHEMBL3056642 0.83 PDE3A (0.40) ALDH1A1LMNAPDE3APDE10AHPGD
SCHEMBL3053157 0.81 ALDH1A1 (0.43) ALDH1A1LMNAPDE3APDE10AHPGD
SCHEMBL3056007 0.81 ALDH1A1 (0.43) ALDH1A1LMNAPDE3APDE10AHPGD
SCHEMBL3055966 0.81 PDE3A (0.41) ALDH1A1LMNAPDE3APDE10AHPGD
SCHEMBL3057226 0.80 PDE3A (0.58) ALDH1A1PDE3APDE10A
SCHEMBL3050044 0.79 PDE3A (0.39) ALDH1A1LMNAPDE3APDE10AADORA2A
SCHEMBL3058176 0.79 PROKR1 (0.50) PDE3APDE10A
SCHEMBL3051143 0.79 PDE3A (0.48) PDE3APDE10A

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 MAP4K4 993/4885ALDH1A1 997/4885LMNA 4217/4885

“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.