SCHEMBL25826720

SCHEMBL25826720

CC(C)Oc1ccnc2ccc(N3CC4(CNC4)C3)cc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 17/20 0.38
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK6 Q00534 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL25828249 0.88 NCF1 (0.41)
SCHEMBL25826722 0.86 IRAK4 (0.43) IRAK4TBK1
SCHEMBL23999423 0.84 IP6K1 (0.34) CDK4CCND1CDK6
SCHEMBL25826718 0.80 IP6K1 (0.45) IRAK4TBK1
SCHEMBL25826717 0.80 IP6K1 (0.48) IRAK4
SCHEMBL25821244 0.79 LRRK2 (0.43) IRAK4
SCHEMBL25820122 0.79 HRH4 (0.33) CDK4CCND1CDK6
SCHEMBL25826716 0.77 CCNC (0.51) TBK1
SCHEMBL26311818 0.74 DOT1L (0.41)
SCHEMBL24006254 0.74 MET (0.43)

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 1748/4885CDK4 670/4885CCND1 2826/4885

“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.