SCHEMBL22437352

SCHEMBL22437352

CCc1c(-c2c(F)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c(CO)nn1C

nearest known ligand 0.59

Predicted protein targets (top 20)

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
PMAIP1 Q13794 1/20 0.53
BCL2 P10415 2/20 0.50
ALB P02768 1/20 0.50

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
SCHEMBL22437374 0.94 MCL1 (0.59) MCL1EEF2KMARK3AXLBCL6
SCHEMBL23110731 0.93 MCL1 (0.50) MCL1EEF2KMARK3AXLBCL6
SCHEMBL29536508 0.93 MCL1 (0.50) MCL1EEF2KMARK3AXLBCL6
SCHEMBL22437340 0.92 MCL1 (0.68) MCL1EEF2KMARK3AXLBCL6
SCHEMBL23091309 0.89 MCL1 (0.68) MCL1EEF2KMARK3AXLBCL6
SCHEMBL29536274 0.87 MCL1 (0.50) MCL1EEF2KMARK3AXLBCL6
SCHEMBL23110703 0.87 MCL1 (0.50) MCL1EEF2KMARK3AXLBCL6
SCHEMBL22437339 0.85 MCL1 (0.57) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19615274 0.85 MCL1 (0.51) MCL1EEF2KMARK3AXLBCL6
SCHEMBL24744705 0.84 MCL1 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710449-B1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER BROAD INST INC (US) 2022-07-06 EP disclosed
US-11286263-B2 Macrocyclic fluorine substituted indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-03-29 US disclosed
US-20210079018-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-18 US disclosed
EP-3710449-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER The Broad Institute, Inc. (US) 2020-09-23 EP 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-11286263-B2 Macrocyclic fluorine substituted indole derivatives FOXM1, CCNT2, CCND2 MCL1 34/4885EEF2K 1419/4885MARK3 2140/4885
US-20210079018-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES FOXM1, CCNT2, CCND2 MCL1 34/4885EEF2K 1419/4885MARK3 2140/4885

“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.