SCHEMBL3029915

SCHEMBL3029915

CN(C)CC(c1ccc(-c2cn[nH]c2)cc1)c1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.47
AKT1 P31749 8/20 0.39
ROCK2 O75116 7/20 0.39
ROCK1 Q13464 2/20 0.39
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
BRAF P15056 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
CYP17A1 P05093 1/20 0.36

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
SCHEMBL3014453 0.86 AKT2 (0.64) AKT2AKT1ROCK1
SCHEMBL3031767 0.84 AKT2 (0.46) AKT2AKT1ROCK2PRKD3PRKCG
SCHEMBL1977986 0.84 AKT2 (0.59) AKT2AKT1ROCK2ROCK1PRKD3
SCHEMBL3019496 0.84 AKT2 (0.54) AKT2AKT1ROCK2ROCK1
SCHEMBL3032503 0.84 AKT2 (0.54) AKT2AKT1ROCK1
SCHEMBL3014462 0.82 AKT2 (0.51) AKT2AKT1ROCK2ROCK1PRKD3
SCHEMBL1978758 0.80 AKT2 (0.67) AKT2AKT1ROCK2ROCK1
SCHEMBL1977716 0.78 AKT2 (0.68) AKT2AKT1ROCK2ROCK1PRKD3
SCHEMBL3032203 0.76 AKT2 (0.50) AKT2AKT1ROCK2ROCK1CYP17A1
SCHEMBL1978482 0.75 CHRM2 (0.67) AKT2ROCK2ROCK1

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 73/4885ROCK2 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.