SCHEMBL2779259

SCHEMBL2779259

NCC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 13/20 0.79
AKT1 P31749 11/20 0.79
CYP2C9 P11712 2/20 0.79
ROCK2 O75116 1/20 0.79
KCNH2 Q12809 1/20 0.79
AKT3 Q9Y243 1/20 0.79
GSK3B P49841 3/20 0.66
CYP2D6 P10635 1/20 0.63
RPS6KB1 P23443 1/20 0.63

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
SCHEMBL3491469 0.90 AKT2 (0.64) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL1001031 0.88 AKT2 (1.00) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL13510877 0.87 AKT1 (0.73) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL3491359 0.85 AKT1 (0.60) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL13343919 0.85 AKT1 (0.66) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL3491738 0.84 AKT1 (0.68) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL3493479 0.84 AKT2 (0.63) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL387982 0.83 AKT1 (1.00) AKT2AKT1ROCK2KCNH2AKT3
SCHEMBL387983 0.83 AKT1 (1.00) AKT2AKT1ROCK2KCNH2AKT3
SCHEMBL391464 0.83 AKT1 (1.00) AKT2AKT1ROCK2KCNH2AKT3

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 71/4885AKT1 92/4885CYP2C9 1091/4885

“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.