SCHEMBL3025820

SCHEMBL3025820

NCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.80
AKT2 P31751 7/20 0.80
ROCK2 O75116 5/20 0.80
AKT3 Q9Y243 3/20 0.80
PRKACA P17612 2/20 0.80
PRKCD Q05655 2/20 0.80
RPS6KA5 O75582 1/20 0.80
RPS6KA4 O75676 1/20 0.80
LATS1 O95835 1/20 0.80
PRKACB P22694 1/20 0.80
RPS6KB1 P23443 1/20 0.80
GRK2 P25098 1/20 0.80
RPS6KA3 P51812 1/20 0.80
ROCK1 Q13464 1/20 0.80
RPS6KA2 Q15349 1/20 0.80
RPS6KA1 Q15418 1/20 0.80
PKN1 Q16512 1/20 0.80
PKN2 Q16513 1/20 0.80
SGK3 Q96BR1 1/20 0.80
RPS6KB2 Q9UBS0 1/20 0.80

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
SCHEMBL3028412 1.00 AKT1 (0.80) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL3024761 1.00 AKT1 (0.80) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL3030502 0.92 AKT1 (0.76) AKT1AKT2ROCK2AKT3PRKACA
At-13148 SCHEMBL850592 0.89 AKT1 (1.00) AKT1AKT2ROCK2AKT3PRKACA
At-13148 SCHEMBL851075 0.89 AKT1 (1.00) AKT1AKT2ROCK2AKT3PRKACA
At-13148 SCHEMBL851471 0.89 AKT1 (1.00) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL3025800 0.89 AKT1 (0.64) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL3019393 0.88 AKT1 (0.66) AKT1AKT2ROCK2AKT3PRKACA
SCHEMBL3021514 0.88 AKT2 (0.62) AKT1AKT2ROCK2AKT3PRKACA
At-13148 SCHEMBL15134882 0.88 AKT1 (0.97) AKT1AKT2ROCK2AKT3PRKACA

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 8 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 claimed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP claimed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO claimed
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 AKT1 73/4885AKT2 88/4885ROCK2 218/4885

“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.