SCHEMBL14005641

SCHEMBL14005641

CCC(N)COc1cncc(C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.42
RPS6KB1 P23443 3/20 0.42
PDPK1 O15530 2/20 0.42
DYRK1A Q13627 2/20 0.39
CLK2 P49760 1/20 0.39
CHUK O15111 1/20 0.37
ROCK2 O75116 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
AKT2 P31751 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PRKCD Q05655 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL10141614 0.80 CYP11B1 (0.43)
SCHEMBL14030004 0.79 CHRNB2 (0.44) AKT1RPS6KB1PDPK1DYRK1ACLK2
SCHEMBL14029995 0.79 CHRNB2 (0.44) AKT1RPS6KB1PDPK1DYRK1ACLK2
SCHEMBL10141679 0.79 AKT1 (0.37) AKT1
SCHEMBL14005638 0.77 AKT1 (0.42) AKT1RPS6KB1PDPK1DYRK1ACLK2
SCHEMBL14004847 0.77 AKT1 (0.42) AKT1RPS6KB1PDPK1DYRK1ACLK2
SCHEMBL14004852 0.77 AKT1 (0.42) AKT1RPS6KB1PDPK1DYRK1ACLK2
SCHEMBL10141621 0.77 GGPS1 (0.40) ROCK2ROCK1
SCHEMBL21103558 0.73 CHRNB2 (0.33) CYP3A4
SCHEMBL10141673 0.72 CYP11B1 (0.41) AKT1DYRK1ACLK2CHUKROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 AKT1 157/4885RPS6KB1 250/4885PDPK1 1/4885

“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.