SCHEMBL3024656

SCHEMBL3024656

NCCC(c1ccc(-c2cn[nH]c2)cc1)c1cnccn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.56
AKT1 P31749 6/20 0.45
ROCK1 Q13464 7/20 0.40
MYLK4 Q86YV6 7/20 0.40
ROCK2 O75116 1/20 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
SCHEMBL3030325 0.84 AKT2 (0.61) AKT2AKT1ROCK1MYLK4
SCHEMBL3032503 0.84 AKT2 (0.54) AKT2AKT1ROCK1MYLK4
SCHEMBL3019602 0.82 AKT2 (0.63) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL3029978 0.79 AKT2 (0.74) AKT2AKT1ROCK1MYLK4
SCHEMBL4650184 0.79 AKT2 (0.79) AKT2AKT1ROCK1ROCK2
SCHEMBL4650083 0.79 AKT2 (0.79) AKT2AKT1ROCK1ROCK2
SCHEMBL1979072 0.79 AKT2 (0.79) AKT2AKT1ROCK1ROCK2
SCHEMBL1979239 0.76 AKT2 (0.58) AKT2AKT1ROCK1ROCK2
SCHEMBL1979900 0.75 AKT2 (0.64) AKT2AKT1ROCK1MYLK4
SCHEMBL3014453 0.75 AKT2 (0.64) AKT2AKT1ROCK1MYLK4

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 2 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

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 88/4885AKT1 73/4885ROCK1 590/4885

“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.