SCHEMBL3056060

SCHEMBL3056060

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.37
CCR5 P51681 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
PDE10A Q9Y233 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PLK1 P53350 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
PRKDC P78527 2/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL3059863 0.90 PDE3A (0.38) PDE3AALDH1A1LMNAPDE10ATLR9
SCHEMBL3062103 0.88 PDE10A (0.44) PDE3ACCR5KCNH2PDE10ATLR9
SCHEMBL3055966 0.87 PDE3A (0.41) PDE3AALDH1A1LMNAPDE10ATLR9
SCHEMBL3056642 0.86 PDE3A (0.40) PDE3AALDH1A1LMNAPDE10ATLR9
SCHEMBL3047030 0.79 PRKDC (0.46) PDE3AALDH1A1LMNAPDE10APRKDC
SCHEMBL3042342 0.78 NTSR1 (0.35) ALDH1A1LMNAPDE10ATLR9TLR8
SCHEMBL3056007 0.78 ALDH1A1 (0.43) PDE3AALDH1A1LMNAPDE10APRKDC
SCHEMBL3050044 0.78 PDE3A (0.39) PDE3AALDH1A1LMNAPDE10A
SCHEMBL3059818 0.78 PRKDC (0.49) PDE3AALDH1A1LMNAPDE10APRKDC
SCHEMBL3057226 0.77 PDE3A (0.58) PDE3AALDH1A1PDE10APRKDC

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 2 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
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 PDE3A 5/4885CCR5 1489/4885KCNH2 1715/4885

“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.