SCHEMBL25786239

SCHEMBL25786239

COC(=O)c1c(CNC(=O)OC(C)(C)C)c2c(Br)c(Cl)ccc2n1CCCOc1cc(C)cc2cc(F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.35
EPAS1 Q99814 1/20 0.35
DYRK1A Q13627 1/20 0.35
BRD4 O60885 1/20 0.33
HTT P42858 1/20 0.33
PLK1 P53350 5/20 0.32
PTGES O14684 2/20 0.32
MARK3 P27448 2/20 0.32
SYK P43405 2/20 0.32
GSK3B P49841 2/20 0.32
CAMK2B Q13554 2/20 0.32
MARK2 Q7KZI7 2/20 0.32
MINK1 Q8N4C8 2/20 0.32
SRPK1 Q96SB4 2/20 0.32
HIPK2 Q9H2X6 2/20 0.32
PLK3 Q9H4B4 2/20 0.32
BCL2 P10415 3/20 0.32
BAD Q92934 3/20 0.32
CDC7 O00311 1/20 0.32
IRAK1 P51617 1/20 0.32

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
SCHEMBL25786220 0.91 MARK3 (0.37) MAPK8DYRK1ABRD4HTTPLK1
SCHEMBL25786240 0.87 KDM4E (0.37) MAPK8BRD4HTTPLK1MARK3
SCHEMBL25248815 0.87 TP53 (0.35) MAPK8EPAS1DYRK1APTGES
SCHEMBL25786243 0.86 MCL1 (0.36) MAPK8BRD4HTTPLK1MARK3
SCHEMBL25786236 0.83 MARK3 (0.35) MAPK8BRD4HTTPLK1MARK3
SCHEMBL25786244 0.82 BAD (0.33) MAPK8BRD4HTTPLK1MARK3
SCHEMBL25786221 0.81 MARK3 (0.39) MAPK8BRD4HTTPLK1MARK3
SCHEMBL23000258 0.78 DYRK1A (0.34) MAPK8DYRK1APLK1MARK3SYK
SCHEMBL25293250 0.74 TP53 (0.35)
SCHEMBL25246284 0.74 TP53 (0.36) MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 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 (1 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-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 MAPK8 3126/4885EPAS1 2968/4885DYRK1A 1043/4885

“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.