SCHEMBL3028665

SCHEMBL3028665

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.48
ROCK1 Q13464 6/20 0.42
ROCK2 O75116 5/20 0.42
AKT1 P31749 5/20 0.41
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
BRAF P15056 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
MYLK4 Q86YV6 4/20 0.39
TRPA1 O75762 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL3013100 0.88 ROCK2 (0.54) AKT2ROCK1ROCK2AKT1
SCHEMBL3024956 0.86 AKT2 (0.49) AKT2ROCK1ROCK2AKT1MYLK4
SCHEMBL3028301 0.84 AKT2 (0.50) AKT2ROCK1ROCK2AKT1PRKD3
SCHEMBL3025775 0.83 AKT2 (0.55) AKT2ROCK1ROCK2AKT1MYLK4
SCHEMBL3026187 0.83 AKT2 (0.53) AKT2ROCK1ROCK2AKT1MYLK4
SCHEMBL3025648 0.82 AKT2 (0.52) AKT2ROCK1ROCK2AKT1PRKD3
SCHEMBL3032491 0.81 AKT2 (0.53) AKT2ROCK1ROCK2AKT1PRKD3
SCHEMBL1977735 0.79 AKT2 (0.59) AKT2ROCK2AKT1PRKD3PRKCG
SCHEMBL1978062 0.79 ROCK2 (0.55) AKT2ROCK1ROCK2AKT1PRKD3
SCHEMBL1978084 0.76 AKT2 (0.56) AKT2ROCK1ROCK2AKT1PRKD3

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 88/4885ROCK1 590/4885ROCK2 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.