SCHEMBL4782378

SCHEMBL4782378

CCc1c[nH]c2ncnc(N3CCC(N)(COc4cccc(C)c4)C3)c12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.55
AKT2 P31751 2/20 0.54
RPS6KB1 P23443 1/20 0.54
AKT3 Q9Y243 1/20 0.54
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL4778647 0.88 AKT1 (0.54) AKT1AKT2RPS6KB1AKT3
SCHEMBL4776933 0.79 AKT1 (0.57) AKT1
SCHEMBL4726023 0.79 AKT1 (0.57) AKT1
SCHEMBL4780232 0.79 AKT1 (0.57) AKT1
SCHEMBL4795581 0.77 AKT1 (0.71) AKT1AKT2RPS6KB1AKT3
SCHEMBL4778852 0.76 AKT1 (0.74) AKT1AKT2RPS6KB1AKT3
SCHEMBL4778839 0.76 AKT1 (0.74) AKT1AKT2RPS6KB1AKT3
SCHEMBL4726079 0.75 AKT1 (0.59) AKT1AKT2RPS6KB1AKT3
SCHEMBL4781938 0.75 AKT1 (0.59) AKT1AKT2RPS6KB1AKT3
SCHEMBL4725153 0.75 AKT1 (0.86) AKT1AKT2RPS6KB1AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 AKT1 752/4885AKT2 1098/4885RPS6KB1 1428/4885

“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.