SCHEMBL25826722

SCHEMBL25826722

CC(C)Oc1ccnc2ccc(N3CC4(COC4)C3)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.43
TBK1 Q9UHD2 2/20 0.36
IDH1 O75874 1/20 0.36
CDK8 P49336 2/20 0.34
CCNC P24863 1/20 0.34
ACVR1 Q04771 2/20 0.34
CHRM4 P08173 1/20 0.34
ATR Q13535 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL26311820 0.88 GAK (0.40) TBK1CDK8CCNCACVR1CHRM4
SCHEMBL25826720 0.86 IRAK4 (0.38) IRAK4TBK1
SCHEMBL23999704 0.84 CDK8 (0.36) IRAK4TBK1IDH1CDK8CCNC
SCHEMBL25826716 0.82 CCNC (0.51) TBK1CDK8CCNCACVR1ATR
SCHEMBL25826718 0.80 IP6K1 (0.45) IRAK4TBK1CDK8CCNC
SCHEMBL25826717 0.80 IP6K1 (0.48) IRAK4CDK8CCNC
SCHEMBL25820123 0.79 ACVR1 (0.34) IRAK4TBK1IDH1CDK8ACVR1
SCHEMBL25821244 0.79 LRRK2 (0.43) IRAK4
SCHEMBL24532876 0.75 MAPT (0.41) IDH1CDK8ACVR1RETKDR
SCHEMBL26311818 0.74 DOT1L (0.41) CDK8CCNCACVR1KDR

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 IRAK4 1748/4885TBK1 824/4885IDH1 3108/4885

“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.