SCHEMBL3493584

SCHEMBL3493584

Cn1cc(-c2cccc(C3(CN=C(c4ccccc4)c4ccccc4)CCN(c4ncnc5[nH]cc(Br)c45)CC3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.43
LRRK2 Q5S007 14/20 0.43
STK3 Q13188 4/20 0.39
STK4 Q13043 3/20 0.39
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PAK4 O96013 1/20 0.37
CHEK2 O96017 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
PRKCG P05129 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL3493273 0.86 LRRK2 (0.49) AKT1LRRK2STK3STK4
SCHEMBL3492153 0.78 LRRK2 (0.49) LRRK2STK3STK4ROCK2PRKACA
SCHEMBL3492832 0.77 LRRK2 (0.51) AKT1LRRK2STK3STK4GSK3B
SCHEMBL3492307 0.77 IRAK4 (0.47) GSK3BDYRK1AIRAK4
SCHEMBL3494394 0.76 IRAK4 (0.42) GSK3BDYRK1AIRAK4
SCHEMBL3493095 0.74 LRRK2 (0.40) LRRK2STK3STK4GSK3BIRAK4
SCHEMBL3490733 0.72 LRRK2 (0.41) LRRK2STK3STK4IRAK4
SCHEMBL3492077 0.71 IRAK1 (0.46) LRRK2JAK2IRAK4
SCHEMBL3491628 0.71 AKT2 (0.43) AKT1LRRK2GSK3BIRAK4
SCHEMBL3491325 0.71 AKT2 (0.59) GSK3B

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 3 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
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 AKT1 40/4885LRRK2 1684/4885STK3 464/4885

“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.