SCHEMBL24558461

SCHEMBL24558461

CC(C)(C)OC(=O)N1CCN2C(=O)c3cc(Cl)c(Br)c(F)c3OC[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.45
HDAC6 Q9UBN7 1/20 0.37
USP30 Q70CQ3 3/20 0.37
TP53 P04637 1/20 0.36
FPR2 P25090 2/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
PAK1 Q13153 1/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
SCN9A Q15858 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL29693083 1.00 KRAS (0.45) KRASHDAC6USP30TP53FPR2
SCHEMBL24558112 0.92 KRAS (0.41) KRASHDAC6USP30TP53FPR2
SCHEMBL29693256 0.92 KRAS (0.41) KRASHDAC6USP30TP53FPR2
SCHEMBL23512862 0.91 USP30 (0.41) KRASHDAC6USP30TP53FPR2
SCHEMBL24558345 0.90 KRAS (0.44) KRASHDAC6USP30TP53FPR2
SCHEMBL24558346 0.89 KRAS (0.40) KRASHDAC6USP30TP53FPR2
SCHEMBL23512814 0.89 KRAS (0.45) KRASHDAC6USP30TP53SUV39H2
SCHEMBL23512564 0.89 KRAS (0.45) KRASHDAC6USP30TP53SUV39H2
SCHEMBL24558469 0.88 KRAS (0.44) KRASHDAC6USP30TP53FPR2
SCHEMBL29693097 0.88 KRAS (0.44) KRASHDAC6USP30TP53FPR2

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
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA UK LIMITED (GB) 2022-06-30 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-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS MCL1, TP53, CCNA2 KRAS 89/4885HDAC6 797/4885USP30 4265/4885

“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.