SCHEMBL3021571

SCHEMBL3021571

NC(=O)CC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 0.50
ROCK1 Q13464 5/20 0.43
MYLK4 Q86YV6 4/20 0.43
ROCK2 O75116 6/20 0.43
AKT1 P31749 2/20 0.43
DCAF1 Q9Y4B6 1/20 0.42
FFAR1 O14842 1/20 0.42
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL3019509 0.90 AKT2 (0.53) AKT2ROCK1MYLK4ROCK2AKT1
SCHEMBL1978776 0.90 AKT2 (0.53) AKT2ROCK1MYLK4ROCK2AKT1
SCHEMBL1979565 0.85 AKT2 (0.70) AKT2ROCK1MYLK4ROCK2AKT1
SCHEMBL1979264 0.85 AKT2 (0.69) AKT2ROCK1ROCK2AKT1RPS6KB1
SCHEMBL3021541 0.84 AKT2 (0.57) AKT2ROCK1MYLK4ROCK2AKT1
SCHEMBL13214515 0.80 AKT2 (0.52) AKT2ROCK1MYLK4ROCK2AKT1
SCHEMBL3019631 0.80 AKT2 (0.52) AKT2ROCK1MYLK4ROCK2AKT1
SCHEMBL3027595 0.77 FFAR1 (0.43) FFAR1
SCHEMBL1978768 0.76 ROCK2 (0.48) AKT2ROCK1MYLK4ROCK2
SCHEMBL3029663 0.76 AKT2 (0.47) AKT2ROCK1ROCK2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 AKT2 88/4885ROCK1 590/4885MYLK4 701/4885

“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.