SCHEMBL21099343

SCHEMBL21099343

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cnc2c(F)c(Br)c(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 5/20 0.36
MET P08581 2/20 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
HDAC6 Q9UBN7 1/20 0.34
PIK3CD O00329 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SCN9A Q15858 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 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
SCHEMBL21137338 1.00 KCNH2 (0.38) KCNH2GPR119METMMP1MMP9
SCHEMBL21099594 0.93 KCNH2 (0.37) KCNH2GPR119METMMP1MMP9
SCHEMBL28648177 0.93 KCNH2 (0.37) KCNH2GPR119METMMP1MMP9
SCHEMBL21099325 0.92 KCNH2 (0.37) KCNH2GPR119METMMP1MMP9
SCHEMBL21099308 0.87 KCNH2 (0.38) KCNH2GPR119METMMP1MMP9
SCHEMBL21137090 0.87 KCNH2 (0.38) KCNH2GPR119METMMP1MMP9
SCHEMBL29153252 0.86 PRKCQ (0.36) GPR119METMMP1MMP9MMP3
SCHEMBL28681459 0.85 KCNH2 (0.38) KCNH2GPR119METPRKCQHDAC6
SCHEMBL21099342 0.83 MET (0.38) KCNH2GPR119METMMP1MMP9
SCHEMBL21099347 0.82 KCNH2 (0.38) KCNH2GPR119METMMP1MMP9

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 KCNH2 4078/4885GPR119 945/4885MET 467/4885

“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.