SCHEMBL3490701

SCHEMBL3490701

NC1(C(=O)O)CCN(c2ncnc3[nH]c(=O)[nH]c23)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 13/20 0.64
AKT1 P31749 9/20 0.41
ROCK2 O75116 3/20 0.41
AKT3 Q9Y243 3/20 0.41
KCNH2 Q12809 2/20 0.39
CYP2C9 P11712 1/20 0.39
PRKACA P17612 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
SCHEMBL2780589 0.79 AKT2 (1.00) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL1003219 0.76 HTR2C (0.50) AKT2PRKACA
SCHEMBL1000995 0.76 AKT2 (0.59) AKT2CYP2C9
SCHEMBL3492169 0.76 AKT2 (0.44) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL2783501 0.76 AKT2 (0.65) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL2780797 0.74 AKT2 (0.67) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL2780731 0.74 AKT2 (0.77) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL1002593 0.74 AKT2 (0.57) AKT2AKT1PRKACA
SCHEMBL13343968 0.74 LIMK2 (0.53) AKT2ROCK2PRKACA
SCHEMBL27746374 0.73 PRKACA (0.47) AKT2AKT1ROCK2AKT3KCNH2

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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US claimed
CN-101627042-A Substituted piperidines containing a heteroarylamide or heteroarylphenyl moiety ASTEX THERAPEUTICS LTD 2010-01-13 CN claimed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP claimed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO claimed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
CN-101627042-A Substituted piperidines containing a heteroarylamide or heteroarylphenyl moiety ASTEX THERAPEUTICS LTD 2010-01-13 CN disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 AKT2 27/4885AKT1 40/4885ROCK2 83/4885

“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.