Sugi Predict

Sugi Predict / Compounds / SCHEMBL19635429

SCHEMBL19635429

SCHEMBL19635429

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(CO)nn(CCOC)c3C)c2n1CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 19/20 0.44
▸ ALB P02768 2/20 0.44
▸ PMAIP1 Q13794 3/20 0.39
▸ BCL2L1 Q07817 2/20 0.39
▸ BAD Q92934 2/20 0.39
▸ BCL2 P10415 1/20 0.37
▸ EEF2K O00418 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ BCL6 P41182 1/20 0.37
▸ NEK4 P51957 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ CAMK2B Q13554 1/20 0.37
▸ CAMK2G Q13555 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ MARK2 Q7KZI7 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL19634928 0.95 MCL1 (0.43) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635431 0.94 MCL1 (0.49) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19615373 0.93 MCL1 (0.49) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19615825 0.91 MCL1 (0.49) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635166 0.91 MCL1 (0.55) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19615286 0.89 MCL1 (0.56) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635168 0.89 MCL1 (0.53) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL19635888 0.89 MCL1 (0.46) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL28640662 0.88 MCL1 (0.50) MCL1ALBPMAIP1BCL2L1BAD
SCHEMBL21802190 0.88 MCL1 (0.49) MCL1ALBPMAIP1BCL2L1BAD

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 — — EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 — — CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 — — US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 — — US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 — — US disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 — — WO 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-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MCL1 62/4885ALB 2042/4885PMAIP1 1664/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MCL1 56/4885ALB 3051/4885PMAIP1 1324/4885

“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.