SCHEMBL3570246

SCHEMBL3570246

COCC1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
APP P05067 1/20 0.35
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
RORC P51449 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SYK P43405 2/20 0.32
JAK2 O60674 1/20 0.32
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 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
SCHEMBL3570243 1.00 MAPT (0.35) MAPTAPPSTK10SLKRORC
Trifluoroacetic Acid SCHEMBL3568696 0.93 KDM4E (0.33) MAPTAPPRORCMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL3568698 0.93 KDM4E (0.33) MAPTAPPRORCMEN1ALDH1A1
SCHEMBL14472900 0.90 EPHX2 (0.34) MAPTSTK10SLKRORCHRH3
SCHEMBL3570584 0.88 SYK (0.37) MAPTAPPHRH3SYKJAK2
SCHEMBL3570580 0.88 SYK (0.37) MAPTAPPHRH3SYKJAK2
SCHEMBL3566532 0.87 MAPT (0.35) MAPTAPPHRH3JAK2MEN1
SCHEMBL3566529 0.87 MAPT (0.35) MAPTAPPHRH3JAK2MEN1
SCHEMBL3568247 0.86 ALDH1A1 (0.35) MAPTAPPHRH3JAK2MEN1
SCHEMBL3568251 0.86 ALDH1A1 (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 6 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
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP 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
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-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 4705/4885STK10 2404/4885

“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.