SCHEMBL16669802

SCHEMBL16669802

O=C(O)N1CCC(n2ccc(Br)cc2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.40
L3MBTL1 Q9Y468 8/20 0.40
L3MBTL4 Q8NA19 2/20 0.40
MBTD1 Q05BQ5 3/20 0.39
KDM5A P29375 1/20 0.34
HSD11B1 P28845 1/20 0.34
TP53 P04637 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL9989911 0.85 TP53 (0.34) L3MBTL3L3MBTL1L3MBTL4MBTD1KDM5A
SCHEMBL17634304 0.83 JAK2 (0.41) L3MBTL3L3MBTL1L3MBTL4MBTD1
SCHEMBL21245631 0.82 SMN1; SMN2 (0.41) L3MBTL3L3MBTL1L3MBTL4MBTD1KDM5A
SCHEMBL119040 0.82 AOC3 (0.37) L3MBTL1HSD11B1ALDH1A1
SCHEMBL30032998 0.82 GAA (0.53) TP53FAAHALDH1A1
SCHEMBL29099876 0.81 JAK1 (0.43) L3MBTL3L3MBTL1L3MBTL4MBTD1ALDH1A1
SCHEMBL16670233 0.80 FPR2 (0.48) TP53ALDH1A1MAPTTHRB
SCHEMBL29099878 0.80 HTR1A (0.37) L3MBTL3L3MBTL1MBTD1ALDH1A1
SCHEMBL30031731 0.79 SMN1; SMN2 (0.56)
SCHEMBL31482726 0.79 AOC3 (0.36) L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed
CN-116693518-A Synthesis and application of EGFR inhibitor 江南大学 2023-09-05 CN disclosed
EP-3197870-B1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2020-08-19 EP disclosed
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-05-24 US disclosed
US-9862701-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2018-01-09 US disclosed
EP-3197870-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS Araxes Pharma LLC (US) 2017-08-02 EP disclosed
EP-3063139-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-09-07 EP disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
WO-2016049524-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2016-03-31 WO disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
WO-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 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 (3 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-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS L3MBTL3 806/4885L3MBTL1 328/4885L3MBTL4 1061/4885
US-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 L3MBTL3 4875/4885L3MBTL1 4878/4885L3MBTL4 4870/4885
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS L3MBTL3 806/4885L3MBTL1 328/4885L3MBTL4 1061/4885

“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.