SCHEMBL25826718

SCHEMBL25826718

CC(C)Oc1ccnc2ccc(N3CCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.45
CDK8 P49336 6/20 0.44
CCNC P24863 5/20 0.44
IRAK4 Q9NWZ3 5/20 0.44
MAP4K4 O95819 1/20 0.44
IP6K3 Q96PC2 1/20 0.43
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LRRK2 Q5S007 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
OGA O60502 1/20 0.37

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
SCHEMBL25826717 0.97 IP6K1 (0.48) IP6K1CDK8CCNCIRAK4MAP4K4
SCHEMBL25826716 0.88 CCNC (0.51) CDK8CCNCMEN1KMT2AALDH1A1
SCHEMBL24006371 0.86 ALDH1A1 (0.52) IP6K1CDK8CCNCMAP4K4IP6K3
SCHEMBL25491134 0.83 ALDH1A1 (0.56) IP6K1CDK8CCNCMAP4K4IP6K3
SCHEMBL25821244 0.83 LRRK2 (0.43) IRAK4LRRK2
SCHEMBL26311806 0.82 IP6K1 (0.51) IP6K1CDK8CCNCMAP4K4IP6K3
SCHEMBL25831270 0.82 ALDH1A1 (0.55) IP6K1CDK8CCNCMAP4K4IP6K3
SCHEMBL25826720 0.80 IRAK4 (0.38) IRAK4TBK1
SCHEMBL25826722 0.80 IRAK4 (0.43) CDK8CCNCIRAK4TBK1
SCHEMBL25826713 0.80 NCF1 (0.41) MEN1KMT2AALDH1A1

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
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 186/4885CDK8 567/4885CCNC 821/4885

“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.