SCHEMBL6855699

SCHEMBL6855699

Cc1n[nH]c2ccc(-c3cc(OCC(Cc4ccccc4)NC(=O)OC(C)(C)C)ccc3C=O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40
CDK2 P24941 5/20 0.40
CDK7 P50613 3/20 0.40
AKT1 P31749 10/20 0.39
ROCK1 Q13464 6/20 0.38
MAPK1 P28482 4/20 0.38
DAPK3 O43293 3/20 0.38
PAK4 O96013 3/20 0.38
CHEK2 O96017 3/20 0.38

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
SCHEMBL6855694 1.00 ATM (0.42) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL6855907 0.89 HDAC3 (0.42) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL6855905 0.89 HDAC3 (0.42) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5469830 0.86 AKT1 (0.51) ATMCDK2CDK7AKT1ROCK1
SCHEMBL5472198 0.81 AKT1 (0.48) ATMCDK2CDK7AKT1ROCK1
SCHEMBL5467193 0.79 AKT1 (0.44) CDK2CDK7AKT1ROCK1MAPK1
SCHEMBL4658342 0.78 CDK2 (0.42) CDK2CDK7AKT1ROCK1MAPK1
SCHEMBL6857876 0.78 AKT1 (0.51) CDK2CDK7AKT1ROCK1MAPK1
SCHEMBL14430184 0.78 AKT1 (0.44) CDK2CDK7AKT1ROCK1CSNK1D
SCHEMBL6857879 0.78 AKT1 (0.51) CDK2CDK7AKT1ROCK1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885HDAC3 3415/4885HDAC4 2680/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885HDAC3 3415/4885HDAC4 2680/4885

“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.