SCHEMBL29693121

SCHEMBL29693121

COc1cc2c(c(F)c1Br)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 16/20 0.51
PDE4B Q07343 2/20 0.38
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 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
SCHEMBL24558248 1.00 KRAS (0.51) KRASPDE4BCCNT1CDK9
SCHEMBL24558375 0.90 KRAS (0.54) KRASPDE4B
SCHEMBL29693129 0.90 KRAS (0.54) KRASPDE4B
SCHEMBL29693164 0.90 KRAS (0.49) KRAS
SCHEMBL24558243 0.90 KRAS (0.49) KRAS
SCHEMBL24558365 0.89 KRAS (0.48) KRAS
SCHEMBL29693188 0.88 KRAS (0.50) KRAS
SCHEMBL24558309 0.88 KRAS (0.44) KRAS
SCHEMBL24558290 0.88 KRAS (0.50) KRAS
SCHEMBL28671279 0.88 KRAS (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410187-B2 Fused tricyclic compounds useful as anticancer agents ASTRAZENECA AB (SE) 2025-09-09 US disclosed
CN-113508118-B Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2024-07-19 CN disclosed
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 (2 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-12410187-B2 Fused tricyclic compounds useful as anticancer agents MCL1, TP53, CCNA2 KRAS 89/4885PDE4B 3799/4885CCNT1 54/4885
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS MCL1, TP53, CCNA2 KRAS 89/4885PDE4B 3799/4885CCNT1 54/4885

“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.