SCHEMBL3495229

SCHEMBL3495229

Cn1cc(-c2cccc(C3(CN4CCCC4)CCN(c4ncnc5[nH]cnc45)CC3)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.40
IRAK4 Q9NWZ3 4/20 0.37
IRAK1 P51617 4/20 0.36
WNT1 P04628 3/20 0.35
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
KIT P10721 2/20 0.35
MERTK Q12866 1/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34

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
SCHEMBL3491628 0.90 AKT2 (0.43) LRRK2IRAK4IRAK1GSK3BKIT
SCHEMBL3490733 0.89 LRRK2 (0.41) LRRK2IRAK4IRAK1KITSTK4
SCHEMBL3493174 0.88 LRRK2 (0.41) LRRK2IRAK4IRAK1KITSTK4
SCHEMBL3492315 0.87 LRRK2 (0.40) LRRK2IRAK4IRAK1KITSTK4
SCHEMBL3492317 0.86 LRRK2 (0.40) LRRK2IRAK4IRAK1GSK3BKIT
SCHEMBL3491238 0.83 LRRK2 (0.37) LRRK2IRAK4IRAK1KIT
SCHEMBL3494086 0.82 LRRK2 (0.41) LRRK2IRAK4IRAK1KITSTK4
SCHEMBL3493290 0.82 KIT (0.45) LRRK2IRAK4IRAK1KITSTK4
SCHEMBL3494439 0.81 LIMK2 (0.36) LRRK2IRAK4IRAK1WNT1GSK3B
SCHEMBL3492388 0.81 LRRK2 (0.41) LRRK2IRAK4IRAK1KITSTK4

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
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
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 LRRK2 1684/4885IRAK4 2132/4885IRAK1 1716/4885

“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.