SCHEMBL13657173

SCHEMBL13657173

CC(C)(C)c1ccc(CNC(=O)C2(N)CCN(c3ncnc4c3CCN4)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 16/20 0.68
AKT1 P31749 4/20 0.51
ROCK2 O75116 2/20 0.51
CYP2C9 P11712 2/20 0.51
KCNH2 Q12809 1/20 0.51
AKT3 Q9Y243 1/20 0.51
AKT1S1 Q96B36 2/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL13369029 0.89 AKT2 (0.55) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL13542255 0.85 AKT2 (0.69) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL13657174 0.82 AKT2 (0.69) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL1003173 0.81 AKT2 (1.00) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL13657184 0.80 AKT2 (0.68) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL10194432 0.77 AKT1 (0.69) AKT2AKT1ROCK2KCNH2AKT3
SCHEMBL2782629 0.73 AKT2 (0.68) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL1001963 0.72 AKT2 (1.00) AKT2AKT1ROCK2CYP2C9KCNH2
SCHEMBL13369025 0.71 LIMK2 (0.40) AKT2AKT1ROCK2AKT1S1
SCHEMBL11946592 0.71 RPS6KB1 (0.70) AKT2AKT1ROCK2KCNH2AKT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 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-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 AKT2 496/4885AKT1 388/4885ROCK2 869/4885

“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.