SCHEMBL24558273

SCHEMBL24558273

COc1cccc(C)c1-c1c(F)cc2c(c1C#CS(C)(C)C)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 16/20 0.49
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
MGLL Q99685 2/20 0.33
USP30 Q70CQ3 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
SCHEMBL24558270 0.92 KRAS (0.45) KRAS
SCHEMBL31107227 0.91 KRAS (0.49) KRASCCNT1CDK9
SCHEMBL24558280 0.91 KRAS (0.49) KRASCCNT1CDK9
SCHEMBL24558440 0.89 KRAS (0.61) KRASCCNT1CDK9
SCHEMBL31107247 0.89 KRAS (0.61) KRASCCNT1CDK9
SCHEMBL31107220 0.83 KRAS (0.45) KRAS
SCHEMBL29693204 0.83 KRAS (0.45) KRAS
SCHEMBL24558268 0.83 KRAS (0.45) KRAS
SCHEMBL24558153 0.82 KRAS (0.40) KRASUSP30
SCHEMBL24558262 0.82 KRAS (0.54) KRASUSP30

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 89/4885CCNT1 54/4885CDK9 41/4885

“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.