SCHEMBL3490847

SCHEMBL3490847

Cn1cc(-c2cccc(C3(CNC(=O)CN)CCNCC3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.46
GSK3B P49841 5/20 0.42
DYRK1A Q13627 5/20 0.42
IRAK1 P51617 5/20 0.42
WNT1 P04628 3/20 0.41
MCHR1 Q99705 3/20 0.39
TYRO3 Q06418 1/20 0.39
EP300 Q09472 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
SCHEMBL3491629 0.89 IRAK4 (0.45) IRAK4GSK3BDYRK1AIRAK1WNT1
SCHEMBL14155631 0.88 IRAK4 (0.46) IRAK4GSK3BDYRK1AIRAK1WNT1
SCHEMBL13344044 0.83 IRAK4 (0.46) IRAK4GSK3BDYRK1AIRAK1
Hydrochloric Acid SCHEMBL3491088 0.82 IRAK4 (0.46) IRAK4GSK3BDYRK1AIRAK1
SCHEMBL3492912 0.81 IRAK4 (0.48) IRAK4GSK3BDYRK1AIRAK1WNT1
SCHEMBL14155606 0.81 IRAK4 (0.45) IRAK4GSK3BDYRK1AIRAK1WNT1
SCHEMBL3491238 0.81 LRRK2 (0.37) IRAK4IRAK1MCHR1
SCHEMBL3491269 0.77 IRAK4 (0.45) IRAK4GSK3BDYRK1AIRAK1WNT1
SCHEMBL14155619 0.75 AKT1 (0.47) IRAK4GSK3BDYRK1AIRAK1WNT1
SCHEMBL4564278 0.75 GSK3B (0.41) IRAK4GSK3BDYRK1AIRAK1WNT1

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 5 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

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 2132/4885GSK3B 627/4885DYRK1A 1202/4885

“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.