SCHEMBL21099342

SCHEMBL21099342

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cnc2cc(Br)c(Cl)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.38
GPR119 Q8TDV5 4/20 0.35
KCNH2 Q12809 1/20 0.35
PRKCQ Q04759 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
PIK3CD O00329 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
BTK Q06187 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33
PIK3CA P42336 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL21099318 0.93 MET (0.39) METGPR119KCNH2PRKCQMMP1
SCHEMBL21100021 0.87 MET (0.39) METGPR119KCNH2PRKCQMMP1
SCHEMBL21050822 0.87 MET (0.39) METGPR119KCNH2PRKCQMMP1
SCHEMBL21099325 0.84 KCNH2 (0.37) METGPR119KCNH2PRKCQMMP1
SCHEMBL28648177 0.84 KCNH2 (0.37) METGPR119KCNH2PRKCQMMP1
SCHEMBL21099594 0.84 KCNH2 (0.37) METGPR119KCNH2PRKCQMMP1
SCHEMBL21137338 0.83 KCNH2 (0.38) METGPR119KCNH2PRKCQMMP1
SCHEMBL21099343 0.83 KCNH2 (0.38) METGPR119KCNH2PRKCQMMP1
SCHEMBL29153252 0.82 PRKCQ (0.36) METGPR119PRKCQMMP1MMP3
SCHEMBL21050902 0.81 MAPT (0.35) CYP8B1MAPT

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-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 (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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 MET 467/4885GPR119 945/4885KCNH2 4078/4885

“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.