SCHEMBL3566532

SCHEMBL3566532

CN(C)CC1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
APP P05067 2/20 0.35
PRKCB P05771 4/20 0.33
HRH3 Q9Y5N1 1/20 0.32
JAK2 O60674 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCD Q05655 2/20 0.31
PRKD1 Q15139 2/20 0.31
PHKG2 P15735 1/20 0.31
PRKCI P41743 1/20 0.31
PHKA2 P46019 1/20 0.31
PHKA1 P46020 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL3566529 1.00 MAPT (0.35) MAPTAPPPRKCBHRH3JAK2
SCHEMBL14472829 0.90 EPHX2 (0.34) MAPTPRKCBHRH3JAK2MEN1
SCHEMBL3574925 0.88 MCHR1 (0.37) MAPTAPP
SCHEMBL3574927 0.88 MCHR1 (0.37) MAPTAPP
SCHEMBL3566004 0.88 APP (0.34) MAPTAPPJAK2MEN1KMT2A
SCHEMBL3566002 0.88 APP (0.34) MAPTAPPJAK2MEN1KMT2A
SCHEMBL3570580 0.88 SYK (0.37) MAPTAPPHRH3JAK2MEN1
SCHEMBL3570584 0.88 SYK (0.37) MAPTAPPHRH3JAK2MEN1
SCHEMBL3570243 0.87 MAPT (0.35) MAPTAPPHRH3JAK2MEN1
SCHEMBL3570246 0.87 MAPT (0.35) MAPTAPPHRH3JAK2MEN1

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US claimed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US claimed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 MAPT 4095/4885APP 4705/4885PRKCB 4821/4885

“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.