SCHEMBL29693097

SCHEMBL29693097

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.44
PDE4B Q07343 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
USP30 Q70CQ3 2/20 0.36
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
ALK Q9UM73 2/20 0.34
ROCK2 O75116 1/20 0.34
FPR2 P25090 2/20 0.34
TP53 P04637 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
TNF P01375 1/20 0.33
LITAF Q99732 1/20 0.33
GALR2 O43603 1/20 0.33
GALR1 P47211 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 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
SCHEMBL24558469 1.00 KRAS (0.44) KRASPDE4BHDAC6USP30CCNT1
SCHEMBL24558322 0.92 KRAS (0.41) KRASPDE4BHDAC6USP30ALK
SCHEMBL24558112 0.91 KRAS (0.41) KRASHDAC6USP30FPR2TP53
SCHEMBL29693256 0.91 KRAS (0.41) KRASHDAC6USP30FPR2TP53
SCHEMBL24558102 0.89 KRAS (0.41) KRASPDE4BHDAC6USP30ROCK2
SCHEMBL24558345 0.89 KRAS (0.44) KRASHDAC6USP30FPR2TP53
SCHEMBL24558346 0.88 KRAS (0.40) KRASHDAC6USP30FPR2TP53
SCHEMBL29693083 0.88 KRAS (0.45) KRASHDAC6USP30FPR2TP53
SCHEMBL24558461 0.88 KRAS (0.45) KRASHDAC6USP30FPR2TP53
SCHEMBL28650246 0.88 KRAS (0.47) 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 3799/4885HDAC6 797/4885
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS MCL1, TP53, CCNA2 KRAS 89/4885PDE4B 3799/4885HDAC6 797/4885

“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.