SCHEMBL21050822

SCHEMBL21050822

COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cnc2cc(Br)c(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.39
KCNH2 Q12809 1/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
PRKCQ Q04759 1/20 0.36
PIK3CD O00329 2/20 0.36
CYP8B1 Q9UNU6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
EPHA2 P29317 2/20 0.33
PDGFRB P09619 1/20 0.33
MMP13 P45452 1/20 0.33
ERBB2 P04626 1/20 0.33
EPHB4 P54760 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 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
SCHEMBL21100021 1.00 MET (0.39) METKCNH2MMP1MMP9MMP3
SCHEMBL21052504 0.89 ABL1 (0.35) PIK3CDCYP8B1ALDH1A1MAPTPDGFRB
SCHEMBL21099318 0.89 MET (0.39) METKCNH2MMP1MMP9MMP3
SCHEMBL21099203 0.87 MET (0.39) METKCNH2PRKCQCYP8B1ALDH1A1
SCHEMBL21137316 0.87 MET (0.39) METKCNH2PRKCQCYP8B1ALDH1A1
SCHEMBL21099361 0.87 MET (0.39) METKCNH2PRKCQCYP8B1ALDH1A1
SCHEMBL21099607 0.87 MET (0.39) METKCNH2PRKCQCYP8B1ALDH1A1
SCHEMBL21099342 0.87 MET (0.38) METKCNH2MMP1MMP9MMP3
SCHEMBL21100018 0.86 PIK3CD (0.36) MMP1MMP9MMP3MMP7PIK3CD
SCHEMBL28648177 0.86 KCNH2 (0.37) METKCNH2MMP1MMP9MMP3

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
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 MET 467/4885KCNH2 4078/4885MMP1 2560/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 MET 467/4885KCNH2 4078/4885MMP1 2560/4885

“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.