SCHEMBL2782017

SCHEMBL2782017

NCC1(c2cccc(Cl)c2)CCN(c2ncnc3[nH]c(=O)[nH]c23)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.59
GSK3B P49841 2/20 0.51
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DPP4 P27487 6/20 0.44
DPP9 Q86TI2 4/20 0.44
DPP8 Q6V1X1 4/20 0.44
AKT1 P31749 2/20 0.41
RPS6KB1 P23443 3/20 0.41
STK4 Q13043 2/20 0.41
STK3 Q13188 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1000846 0.88 AKT2 (0.66) AKT2GSK3BSLC6A4SLC6A3AKT1
SCHEMBL3491404 0.82 AKT2 (0.45) AKT2GSK3B
SCHEMBL1001928 0.81 AKT2 (0.56) AKT2GSK3BSLC6A4SLC6A3DPP4
SCHEMBL1001801 0.80 AKT2 (0.77) AKT2GSK3BAKT1RPS6KB1
SCHEMBL2781812 0.79 RPS6KB1 (0.64) AKT2GSK3BSLC6A4SLC6A3DPP4
SCHEMBL14385572 0.77 AKT2 (0.48) AKT2GSK3BSLC6A4SLC6A3DPP4
SCHEMBL2779105 0.77 RPS6KB1 (0.58) AKT2GSK3BSLC6A4RPS6KB1
SCHEMBL2783501 0.76 AKT2 (0.65) AKT2GSK3BAKT1RPS6KB1
SCHEMBL2779254 0.74 AKT2 (1.00) AKT2GSK3BAKT1RPS6KB1
SCHEMBL1003089 0.73 AKT2 (0.51) AKT2AKT1RPS6KB1STK4STK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 AKT2 71/4885GSK3B 31/4885SLC6A4 1437/4885

“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.