SCHEMBL2777809

SCHEMBL2777809

N#CC1(c2cccc(Cl)c2)CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 5/20 0.44
STK3 Q13188 5/20 0.44
AKT2 P31751 5/20 0.43
RPS6KB1 P23443 3/20 0.42
MAPT P10636 1/20 0.42
SCD O00767 1/20 0.42
LRRK2 Q5S007 7/20 0.41
GSK3B P49841 2/20 0.39
SCN9A Q15858 1/20 0.38
SLC9A1 P19634 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
SCHEMBL3494326 0.88 AKT1 (0.42) STK4STK3AKT2LRRK2
SCHEMBL1001928 0.82 AKT2 (0.56) STK4STK3AKT2RPS6KB1MAPT
SCHEMBL3493290 0.81 KIT (0.45) STK4STK3LRRK2
SCHEMBL4443648 0.80 LRRK2 (0.45) STK4STK3LRRK2
SCHEMBL3489447 0.79 HRH4 (0.40) STK4STK3AKT2RPS6KB1MAPT
SCHEMBL1789307 0.76 MAPT (0.68) STK4STK3RPS6KB1MAPTLRRK2
SCHEMBL3490589 0.74 KIT (0.38) AKT2MAPTLRRK2
SCHEMBL1002695 0.71 AKT2 (0.72) AKT2RPS6KB1GSK3B
SCHEMBL923226 0.71 KMT2A (0.45) SCD
SCHEMBL1002960 0.70 AKT2 (0.72) AKT2RPS6KB1GSK3B

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 12 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
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
CN-101627042-A Substituted piperidines containing a heteroarylamide or heteroarylphenyl moiety ASTEX THERAPEUTICS LTD 2010-01-13 CN disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
CN-101490050-A Pharmaceutical compounds ASTEX THERAPEUTICS LTD (GB) 2009-07-22 CN disclosed
EP-2029592-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-03-04 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2007125325-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 (2 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 STK4 150/4885STK3 102/4885AKT2 71/4885
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 STK4 493/4885STK3 464/4885AKT2 27/4885

“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.