SCHEMBL2778397

SCHEMBL2778397

N#CC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.63
JAK2 O60674 4/20 0.59
KIT P10721 1/20 0.56
AKT1 P31749 3/20 0.55
HTR2C P28335 1/20 0.54
ROCK2 O75116 1/20 0.54
AKT2 P31751 1/20 0.54
AKT3 Q9Y243 1/20 0.54
LCK P06239 3/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54

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
SCHEMBL10277773 0.84 JAK3 (0.66) JAK3JAK2KITAKT1HTR2C
SCHEMBL10156821 0.83 JAK3 (0.59) JAK3KITAKT1HTR2CROCK2
SCHEMBL2780797 0.83 AKT2 (0.67) JAK3AKT1ROCK2AKT2AKT3
SCHEMBL13510875 0.82 KIT (0.64) JAK3KITAKT1ROCK2AKT2
SCHEMBL323706 0.82 JAK3 (0.78) JAK3JAK2LCKJAK1TYK2
SCHEMBL2778598 0.80 AKT1 (0.63) JAK3KITAKT1HTR2CROCK2
SCHEMBL15827640 0.80 JAK3 (0.58) JAK3KITAKT1HTR2CROCK2
SCHEMBL392634 0.79 AKT1 (0.77) AKT1ROCK2AKT2AKT3
SCHEMBL3490979 0.79 AKT2 (0.62) JAK3JAK2AKT1ROCK2AKT2
SCHEMBL392635 0.79 AKT1 (0.77) AKT1ROCK2AKT2AKT3

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-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP 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 JAK3 62/4885JAK2 77/4885KIT 1632/4885
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 JAK3 309/4885JAK2 66/4885KIT 1421/4885

“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.