SCHEMBL3562468

SCHEMBL3562468

N#Cc1cccc(Nc2ccc3c(c2)C(=CNc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLK Q9H2G2 9/20 0.40
STK10 O94804 7/20 0.40
CHEK1 O14757 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK2 P24941 1/20 0.37
FAAH O00519 1/20 0.37
MCHR1 Q99705 1/20 0.37
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SLC2A1 P11166 1/20 0.36
CCR3 P51677 1/20 0.36
BRAF P15056 1/20 0.36
MLNR O43193 2/20 0.35

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
SCHEMBL3565245 1.00 SLK (0.40) SLKSTK10CHEK1CDK4CCND1
SCHEMBL3569380 0.92 HRH3 (0.40) CHEK1CDK4CCND1CDK1CCNB1
SCHEMBL3569383 0.92 HRH3 (0.40) CHEK1CDK4CCND1CDK1CCNB1
SCHEMBL3572046 0.90 CHEK1 (0.44) CHEK1CDK4CCND1CDK1CCNB1
SCHEMBL3572045 0.90 CHEK1 (0.44) CHEK1CDK4CCND1CDK1CCNB1
SCHEMBL3567794 0.89 CDK4 (0.46) CDK4CCND1CDK1MCHR1DDB1
SCHEMBL3567788 0.89 CDK4 (0.46) CDK4CCND1CDK1MCHR1DDB1
SCHEMBL3572930 0.88 CDK4 (0.38) CDK4CCND1DDB1CRBN
SCHEMBL3574372 0.88 ALDH1A1 (0.41) SLKSTK10CDK4CCND1FAAH
SCHEMBL3574367 0.88 ALDH1A1 (0.41) SLKSTK10CDK4CCND1FAAH

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 SLK 3441/4885STK10 2404/4885CHEK1 1305/4885

“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.