SCHEMBL21099591

SCHEMBL21099591

C[C@@H]1CN(c2c([N+](=O)[O-])cnc3cc(Br)c(Cl)cc23)[C@@H](CO)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.37
MCL1 Q07820 9/20 0.32
BCL2 P10415 5/20 0.32
BCL2L1 Q07817 4/20 0.32
KRAS P01116 2/20 0.32
MET P08581 1/20 0.32
CYP8B1 Q9UNU6 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21050877 0.89 KRAS (0.33) KRASCYP8B1
SCHEMBL21050733 0.89 KRAS (0.33) KRASCYP8B1
SCHEMBL21137316 0.87 MET (0.39) GPR119METCYP8B1ALDH1A1
SCHEMBL21099203 0.87 MET (0.39) GPR119METCYP8B1ALDH1A1
SCHEMBL21099361 0.87 MET (0.39) GPR119METCYP8B1ALDH1A1
SCHEMBL21099385 0.86 GPR119 (0.36) GPR119MCL1BCL2BCL2L1KRAS
SCHEMBL21099334 0.86 GPR119 (0.36) GPR119MCL1BCL2BCL2L1KRAS
SCHEMBL21137056 0.85 GPR119 (0.41) GPR119METCYP8B1MEN1KMT2A
SCHEMBL21050760 0.81 CYP8B1 (0.31) KRASCYP8B1
SCHEMBL21099607 0.81 MET (0.39) GPR119METCYP8B1ALDH1A1

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 GPR119 945/4885MCL1 3/4885BCL2 161/4885

“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.