SCHEMBL3024709

SCHEMBL3024709

NCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 8/20 0.61
AKT1 P31749 10/20 0.50
ROCK1 Q13464 6/20 0.45
MYLK4 Q86YV6 4/20 0.45
PRKACA P17612 2/20 0.41
AKT3 Q9Y243 2/20 0.41
PRKCD Q05655 2/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
RPS6KA4 O75676 1/20 0.41
LATS1 O95835 1/20 0.41
PRKACB P22694 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GRK2 P25098 1/20 0.41
RPS6KA3 P51812 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
SGK3 Q96BR1 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
SCHEMBL3030114 0.86 AKT2 (0.63) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL3024760 0.85 AKT2 (0.63) AKT2AKT1ROCK1PRKACAAKT3
SCHEMBL16037204 0.84 AKT2 (0.51) AKT2AKT1PRKCDROCK2PRKD3
SCHEMBL3033405 0.84 AKT2 (0.60) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL3025930 0.83 AKT2 (0.59) AKT2AKT1ROCK1MYLK4PRKCD
SCHEMBL1979072 0.83 AKT2 (0.79) AKT2AKT1ROCK1PRKACAAKT3
SCHEMBL4650184 0.83 AKT2 (0.79) AKT2AKT1ROCK1PRKACAAKT3
SCHEMBL4650083 0.83 AKT2 (0.79) AKT2AKT1ROCK1PRKACAAKT3
SCHEMBL3025710 0.82 AKT2 (0.57) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL3032491 0.81 AKT2 (0.53) AKT2AKT1ROCK1MYLK4PRKCD

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 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.