SCHEMBL24558262

SCHEMBL24558262

COc1cccc(N)c1-c1c(F)cc2c(c1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 16/20 0.54
USP30 Q70CQ3 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
ABL2 P42684 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL29693086 1.00 KRAS (0.54) KRASUSP30HDAC1HDAC2ABL1
SCHEMBL24558440 0.93 KRAS (0.61) KRASHDAC6
SCHEMBL31107247 0.93 KRAS (0.61) KRASHDAC6
SCHEMBL29693115 0.91 KRAS (0.53) KRASHDAC6
SCHEMBL24558244 0.91 KRAS (0.53) KRASHDAC6
SCHEMBL24558183 0.90 KRAS (0.52) KRAS
SCHEMBL31107267 0.90 KRAS (0.52) KRASHDAC6
SCHEMBL24558126 0.90 KRAS (0.52) KRASHDAC6
SCHEMBL29693120 0.90 KRAS (0.52) KRAS
SCHEMBL28676540 0.90 KRAS (0.58) KRAS

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-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 89/4885USP30 4265/4885HDAC1 916/4885

“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.