SCHEMBL20745928

SCHEMBL20745928

COCC1CN(c2nccc(CO)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
SORD Q00796 5/20 0.37
EGFR P00533 1/20 0.37
CDK8 P49336 2/20 0.36
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
SCN9A Q15858 1/20 0.36
MAP4K4 O95819 1/20 0.35
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
CHRM4 P08173 1/20 0.34
PDE10A Q9Y233 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL20745292 0.87 NR1H2 (0.36) NR1H2SORDCDK8RBP4TTR
SCHEMBL20746186 0.87 NR1H2 (0.36) NR1H2SORDCDK8RBP4TTR
SCHEMBL20745039 0.87 NR1H2 (0.36) NR1H2SORDCDK8RBP4TTR
SCHEMBL24920529 0.87 AOC3 (0.36) EGFRCDK8RBP4TTRSCN9A
SCHEMBL20745976 0.83 ACACB (0.43) NR1H2SORDEGFRHCRTR1HCRTR2
SCHEMBL24920547 0.81 AOC3 (0.38) NR1H2RBP4TTRHCRTR1HCRTR2
SCHEMBL22320481 0.81 NR1H2 (0.39) NR1H2SORDHCRTR1HCRTR2
SCHEMBL20745925 0.80 AOC3 (0.35) NR1H2EGFRCDK8RBP4TTR
SCHEMBL20745392 0.78 NR1H2 (0.40) NR1H2SORDRBP4HCRTR1HCRTR2
SCHEMBL20745795 0.77 CRBN (0.47) NR1H2EGFRCDK8RBP4TTR

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
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 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 (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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 NR1H2 3570/4885SORD 4665/4885EGFR 1079/4885

“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.