Sugi Predict

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SCHEMBL23828822

SCHEMBL23828822

CCn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c2cccc(B3OC(C)(C)C(C)(C)O3)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 19/20 0.56
▸ BCL2 P10415 9/20 0.52
▸ BCL2L1 Q07817 6/20 0.52
▸ ALB P02768 3/20 0.52
▸ BAD Q92934 2/20 0.46
▸ CDC7 O00311 1/20 0.43
▸ EEF2K O00418 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ AKT2 P31751 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ NEK4 P51957 1/20 0.43

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
SCHEMBL23753195 0.88 MCL1 (0.52) MCL1BCL2BCL2L1ALBBAD
SCHEMBL23781448 0.80 BAD (0.50) MCL1BCL2BCL2L1BAD
SCHEMBL4170406 0.79 MCL1 (0.56) MCL1BCL2BCL2L1ALBBAD
SCHEMBL23753202 0.78 MCL1 (0.59) MCL1BCL2BCL2L1ALBBAD
SCHEMBL19615324 0.78 MCL1 (0.66) MCL1BCL2BCL2L1ALBBAD
SCHEMBL4168839 0.74 MCL1 (0.53) MCL1BCL2BCL2L1ALBBAD
SCHEMBL29602387 0.74 MCL1 (0.53) MCL1BCL2BCL2L1ALBBAD
SCHEMBL15622465 0.72 MCL1 (1.00) MCL1BCL2BCL2L1ALBBAD
SCHEMBL4164201 0.72 MCL1 (0.70) MCL1BCL2BCL2L1ALBCDC7
SCHEMBL4161657 0.72 MCL1 (0.72) MCL1BCL2BCL2L1ALBCDC7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891404-B2 Substituted macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2024-02-06 — — US disclosed
US-20230112244-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-04-13 — — US disclosed
EP-3710456-B1 MACROCYCLIC INDOLE DERIVATIVES BROAD INST INC (US) 2022-09-21 — — EP disclosed
US-11440923-B2 Substituted macrocyclic indole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-13 — — US disclosed
US-11401278-B2 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-08-02 — — US disclosed
US-20210292341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-09-23 — — 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 (5 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-20230112244-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES FOXM1, CCND2, CCNI MCL1 53/4885BCL2 635/4885BCL2L1 715/4885
US-11891404-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI MCL1 53/4885BCL2 635/4885BCL2L1 715/4885
US-20210292341-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MCL1 56/4885BCL2 741/4885BCL2L1 735/4885
US-11401278-B2 Macrocyclic indole derivatives CCND2, CCNA1, CCNT2 MCL1 56/4885BCL2 741/4885BCL2L1 735/4885
US-11440923-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI MCL1 53/4885BCL2 635/4885BCL2L1 715/4885

“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.