SCHEMBL19615835

SCHEMBL19615835

Cn1nc(CCOC2CCCCO2)c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c1CO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.59
EEF2K O00418 1/20 0.59
MARK3 P27448 1/20 0.59
AXL P30530 1/20 0.59
BCL6 P41182 1/20 0.59
NEK4 P51957 1/20 0.59
PRKCD Q05655 1/20 0.59
PRKAA1 Q13131 1/20 0.59
CAMK2B Q13554 1/20 0.59
CAMK2G Q13555 1/20 0.59
CAMK2D Q13557 1/20 0.59
MARK2 Q7KZI7 1/20 0.59
PIM3 Q86V86 1/20 0.59
HIPK2 Q9H2X6 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
MAP3K20 Q9NYL2 1/20 0.59
MAP4K5 Q9Y4K4 1/20 0.59

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
SCHEMBL19615336 0.95 MCL1 (0.62) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19635449 0.93 MCL1 (0.51) MCL1EEF2KMARK3AXLBCL6
SCHEMBL29601787 0.93 MCL1 (0.51) MCL1EEF2KMARK3AXLBCL6
SCHEMBL29602375 0.89 MCL1 (0.53) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19635502 0.89 MCL1 (0.53) MCL1EEF2KMARK3AXLBCL6
SCHEMBL28656361 0.82 MCL1 (0.68) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19615425 0.81 MCL1 (0.68) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19618991 0.80 MCL1 (0.70) MCL1EEF2KMARK3AXLBCL6
SCHEMBL4168337 0.79 MCL1 (0.84) MCL1EEF2KMARK3AXLBCL6
SCHEMBL4156765 0.78 MCL1 (0.64) MCL1EEF2KMARK3AXLBCL6

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 5 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
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP 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 62/4885EEF2K 2169/4885MARK3 1786/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MCL1 56/4885EEF2K 1859/4885MARK3 2126/4885

“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.