SCHEMBL3492912

SCHEMBL3492912

Cn1cc(-c2cccc(C3(CO)CCNCC3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.48
IRAK1 P51617 8/20 0.43
GSK3B P49841 2/20 0.42
DYRK1A Q13627 2/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
WNT1 P04628 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
AXL P30530 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL13344044 0.88 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1ALOXL2
Hydrochloric Acid SCHEMBL3491088 0.87 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1ALOXL2
SCHEMBL3491269 0.86 IRAK4 (0.45) IRAK4IRAK1GSK3BDYRK1ASLC6A2
SCHEMBL3492307 0.82 IRAK4 (0.47) IRAK4IRAK1GSK3BDYRK1AWNT1
SCHEMBL14155619 0.81 AKT1 (0.47) IRAK4IRAK1GSK3BDYRK1AWNT1
SCHEMBL14155631 0.81 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1AWNT1
SCHEMBL3490847 0.81 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1AWNT1
SCHEMBL14155606 0.79 IRAK4 (0.45) IRAK4IRAK1GSK3BDYRK1AWNT1
SCHEMBL3491629 0.79 IRAK4 (0.45) IRAK4IRAK1GSK3BDYRK1AWNT1
SCHEMBL3492182 0.78 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1A

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 IRAK4 2132/4885IRAK1 1716/4885GSK3B 627/4885

“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.