SCHEMBL3013100

SCHEMBL3013100

CNCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.54
ROCK1 Q13464 10/20 0.54
AKT2 P31751 5/20 0.53
AKT1 P31749 3/20 0.45

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
SCHEMBL3024956 0.89 AKT2 (0.49) ROCK2ROCK1AKT2AKT1
SCHEMBL3028665 0.88 AKT2 (0.48) ROCK2ROCK1AKT2AKT1
SCHEMBL3032491 0.85 AKT2 (0.53) ROCK2ROCK1AKT2AKT1
SCHEMBL3026187 0.85 AKT2 (0.53) ROCK2ROCK1AKT2AKT1
SCHEMBL3025648 0.84 AKT2 (0.52) ROCK2ROCK1AKT2AKT1
SCHEMBL1977735 0.84 AKT2 (0.59) ROCK2AKT2AKT1
SCHEMBL3033405 0.83 AKT2 (0.60) ROCK2ROCK1AKT2AKT1
SCHEMBL3028301 0.82 AKT2 (0.50) ROCK2ROCK1AKT2AKT1
SCHEMBL1978299 0.82 ROCK2 (0.56) ROCK2ROCK1AKT2AKT1
SCHEMBL1978062 0.81 ROCK2 (0.55) ROCK2ROCK1AKT2AKT1

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-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

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 ROCK2 218/4885ROCK1 590/4885AKT2 88/4885

“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.