SCHEMBL25826717

SCHEMBL25826717

CC(C)Oc1ccnc2ccc(N3CCCC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.48
CCNC P24863 4/20 0.47
CDK8 P49336 4/20 0.47
MAP4K4 O95819 1/20 0.47
IP6K3 Q96PC2 1/20 0.46
IRAK4 Q9NWZ3 4/20 0.44
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TERT O14746 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
TNF P01375 1/20 0.39
LRRK2 Q5S007 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL25826718 0.97 IP6K1 (0.45) IP6K1CCNCCDK8MAP4K4IP6K3
SCHEMBL25826716 0.88 CCNC (0.51) CCNCCDK8ALDH1A1MEN1KMT2A
SCHEMBL25491134 0.86 ALDH1A1 (0.56) IP6K1CCNCCDK8MAP4K4IP6K3
SCHEMBL25831270 0.85 ALDH1A1 (0.55) IP6K1CCNCCDK8MAP4K4IP6K3
SCHEMBL24006371 0.83 ALDH1A1 (0.52) IP6K1CCNCCDK8MAP4K4IP6K3
SCHEMBL25821244 0.83 LRRK2 (0.43) IRAK4LRRK2
SCHEMBL24010819 0.82 IP6K1 (0.55) IP6K1CCNCCDK8MAP4K4IP6K3
SCHEMBL24003940 0.81 MAP4K4 (0.56) IP6K1CCNCCDK8MAP4K4IP6K3
SCHEMBL25826720 0.80 IRAK4 (0.38) IRAK4
SCHEMBL25826722 0.80 IRAK4 (0.43) CCNCCDK8IRAK4

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR IP6K1 186/4885CCNC 821/4885CDK8 567/4885

“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.