SCHEMBL21802173

SCHEMBL21802173

Cc1ccc2c(C(C)CCOc3cccc4ccccc34)c(C(=O)O)[nH]c2c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.47
BCL2 P10415 3/20 0.43
ALB P02768 1/20 0.43
BCL2L1 Q07817 2/20 0.41
CAMK2B Q13554 3/20 0.40
CAMK2G Q13555 3/20 0.40
EEF2K O00418 2/20 0.40
MARK3 P27448 2/20 0.40
AXL P30530 2/20 0.40
NEK4 P51957 2/20 0.40
CAMK2D Q13557 2/20 0.40
MARK2 Q7KZI7 2/20 0.40
PIM3 Q86V86 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
MAP3K20 Q9NYL2 2/20 0.40
PRKCD Q05655 2/20 0.40
BCL6 P41182 1/20 0.40
PRKAA1 Q13131 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40

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
SCHEMBL29601778 0.92 MCL1 (0.39) MCL1BCL2ALBBCL2L1CAMK2B
SCHEMBL19635268 0.92 MCL1 (0.39) MCL1BCL2ALBBCL2L1CAMK2B
SCHEMBL19615834 0.82 MCL1 (0.53) MCL1BCL2ALBBCL2L1CAMK2B
SCHEMBL21802248 0.81 MCL1 (0.30) MCL1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL19615953 0.79 PRMT5 (0.32) MCL1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL19615278 0.79 MCL1 (0.53) MCL1BCL2ALBBCL2L1CAMK2B
SCHEMBL28465559 0.78 MCL1 (0.61) MCL1BCL2ALBBCL2L1CAMK2B
SCHEMBL19615324 0.74 MCL1 (0.66) MCL1BCL2ALBBCL2L1CAMK2B
SCHEMBL21802238 0.74 MCL1 (0.54) MCL1BCL2ALBCAMK2BCAMK2G
SCHEMBL19635710 0.74 MCL1 (0.44) MCL1BCL2ALBBCL2L1KMT2A

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 3 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
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

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 62/4885BCL2 701/4885ALB 2042/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MCL1 56/4885BCL2 741/4885ALB 3051/4885

“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.