SCHEMBL3490979

SCHEMBL3490979

N#CC1(C(=O)NCc2ccc(Cl)nc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 14/20 0.62
AKT1 P31749 6/20 0.62
CYP2C9 P11712 2/20 0.62
ROCK2 O75116 1/20 0.62
KCNH2 Q12809 1/20 0.62
AKT3 Q9Y243 1/20 0.62
JAK3 P52333 4/20 0.53
CYP2D6 P10635 1/20 0.51
RPS6KB1 P23443 1/20 0.51
GSK3B P49841 1/20 0.51
JAK2 O60674 2/20 0.50
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50

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
SCHEMBL13343970 0.87 AKT2 (0.81) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL3491469 0.86 AKT2 (0.64) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL13510875 0.79 KIT (0.64) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL2778397 0.79 JAK3 (0.63) AKT2AKT1ROCK2AKT3JAK3
SCHEMBL13343949 0.78 NAMPT (0.44) CYP2C9
SCHEMBL3491932 0.77 NAMPT (0.43) CYP2C9
SCHEMBL1001031 0.77 AKT2 (1.00) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL13510881 0.76 AKT2 (0.78) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL13512945 0.76 JAK3 (0.63) AKT2AKT1CYP2C9ROCK2KCNH2
Hydrochloric Acid SCHEMBL2782341 0.76 AKT2 (0.76) AKT2AKT1CYP2C9ROCK2KCNH2

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 4 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 disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US 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 40/4885CYP2C9 1102/4885

“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.