SCHEMBL3492871

SCHEMBL3492871

NCC1(c2cccc(Br)c2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 14/20 0.67
GSK3B P49841 5/20 0.67
JAK3 P52333 3/20 0.51
RPS6KB1 P23443 2/20 0.49
HTR2C P28335 1/20 0.49
ENPP1 P22413 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
AKT1 P31749 1/20 0.48

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
SCHEMBL3494340 0.89 AKT2 (0.54) AKT2GSK3B
SCHEMBL1001801 0.88 AKT2 (0.77) AKT2GSK3BJAK3RPS6KB1CYP2D6
SCHEMBL15290258 0.88 AKT2 (0.67) AKT2GSK3BJAK3RPS6KB1HTR2C
SCHEMBL2781969 0.87 AKT2 (0.66) AKT2GSK3BJAK3
SCHEMBL3492207 0.86 AKT2 (0.65) AKT2GSK3BJAK3RPS6KB1HTR2C
SCHEMBL1003418 0.85 AKT2 (0.64) AKT2GSK3BJAK3CYP2C9AKT1
SCHEMBL3493948 0.84 AKT2 (0.63) AKT2GSK3BJAK3
SCHEMBL3490881 0.84 AKT2 (0.63) AKT2GSK3BJAK3
SCHEMBL27771071 0.83 JAK3 (0.51) AKT2GSK3BJAK3RPS6KB1HTR2C
SCHEMBL3492164 0.82 AXL (0.62) AKT2GSK3BAKT1

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 6 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
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
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 27/4885GSK3B 627/4885JAK3 309/4885

“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.